tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate

C18H26N4O4S — CID 10430739

IUPACtert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1c[nH]c2ccc(CN3CCNS3(=O)=O)cc12
InChIInChI=1S/C18H26N4O4S/c1-18(2,3)26-17(23)19-7-6-14-11-20-16-5-4-13(10-15(14)16)12-22-9-8-21-27(22,24)25/h4-5,10-11,20-21H,6-9,12H2,1-3H3,(H,19,23)
InChIKeyCSKAOUMXTKHJNE-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.89
Rot. Bonds5

About tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate

tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate (PubChem CID 10430739) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate
PubChem CID10430739
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Nametert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1c[nH]c2ccc(CN3CCNS3(=O)=O)cc12
InChIInChI=1S/C18H26N4O4S/c1-18(2,3)26-17(23)19-7-6-14-11-20-16-5-4-13(10-15(14)16)12-22-9-8-21-27(22,24)25/h4-5,10-11,20-21H,6-9,12H2,1-3H3,(H,19,23)
InChIKeyCSKAOUMXTKHJNE-UHFFFAOYSA-N
XLogP1.89
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
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tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
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tert-butyl N-[2-[5-(4-benzoylphenyl)-1H-indol-3-yl]ethyl]carbamate
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2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
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tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate
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tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
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tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
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butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate (CID 10430739) is tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(CN3CCNS3(=O)=O)cc12.
What is the InChIKey of tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate?
The InChIKey is CSKAOUMXTKHJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-18(2,3)26-17(23)19-7-6-14-11-20-16-5-4-13(10-15(14)16)12-22-9-8-21-27(22,24)25/h4-5,10-11,20-21H,6-9,12H2,1-3H3,(H,19,23).
What are the key properties of tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate has a molecular weight of 394.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate is sourced from PubChem (CID 10430739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).