tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate

C19H28N4O6S — CID 69251664

IUPACtert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate
SMILESC[C@@H](Cn1ncc2ccc3c(c21)OC(CNS(C)(=O)=O)CO3)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H28N4O6S/c1-12(22-18(24)29-19(2,3)4)10-23-16-13(8-20-23)6-7-15-17(16)28-14(11-27-15)9-21-30(5,25)26/h6-8,12,14,21H,9-11H2,1-5H3,(H,22,24)/t12-,14?/m0/s1
InChIKeyJBYXJEOLKUNAJV-NBFOIZRFSA-N
MW440.52 g/mol
LogP1.64
Rot. Bonds6

About tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate (PubChem CID 69251664) has the molecular formula C19H28N4O6S and a molecular weight of 440.52 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate
PubChem CID69251664
Molecular FormulaC19H28N4O6S
Molecular Weight440.52 g/mol
Exact Mass440.17
IUPAC Nametert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate
SMILESC[C@@H](Cn1ncc2ccc3c(c21)OC(CNS(C)(=O)=O)CO3)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H28N4O6S/c1-12(22-18(24)29-19(2,3)4)10-23-16-13(8-20-23)6-7-15-17(16)28-14(11-27-15)9-21-30(5,25)26/h6-8,12,14,21H,9-11H2,1-5H3,(H,22,24)/t12-,14?/m0/s1
InChIKeyJBYXJEOLKUNAJV-NBFOIZRFSA-N
XLogP1.64
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

[1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol
CID 11666121
tert-butyl N-[1-(8,9-dihydro-7H-pyrano[2,3-g]indol-1-yl)propan-2-yl]carbamate
CID 22282652
2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide
CID 23434306
[3-bromo-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazol-5-yl]methyl-triethylazanium;methanesulfonate
CID 170328208
tert-butyl N-[1-[4-(methanesulfonamidomethyl)anilino]propan-2-yl]carbamate
CID 57068373
tert-butyl N-[1-(2,2-difluoroethyl)-7-methoxyindazol-6-yl]carbamate
CID 171437057
[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 10753379
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]butan-2-yl]carbamate
CID 103845011
tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate
CID 155209398
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
tert-butyl N-[1-(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
CID 24928054
tert-butyl N-[1-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-2-yl]carbamate
CID 24928040

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate (CID 69251664) is tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate is C[C@@H](Cn1ncc2ccc3c(c21)OC(CNS(C)(=O)=O)CO3)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate?
The InChIKey is JBYXJEOLKUNAJV-NBFOIZRFSA-N. The full InChI is InChI=1S/C19H28N4O6S/c1-12(22-18(24)29-19(2,3)4)10-23-16-13(8-20-23)6-7-15-17(16)28-14(11-27-15)9-21-30(5,25)26/h6-8,12,14,21H,9-11H2,1-5H3,(H,22,24)/t12-,14?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate has a molecular weight of 440.52 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[8-(methanesulfonamidomethyl)-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 69251664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).