tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate

C15H22N2O2S — CID 107240241

IUPACtert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC1CCSC1
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)19-14(18)17-13-7-5-4-6-12(13)16-11-8-9-20-10-11/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyDNXLYHCKZXRBBW-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.95
Rot. Bonds3

About tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate

tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate (PubChem CID 107240241) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate
PubChem CID107240241
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Nametert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC1CCSC1
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)19-14(18)17-13-7-5-4-6-12(13)16-11-8-9-20-10-11/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyDNXLYHCKZXRBBW-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
tert-butyl N-[4-fluoro-2-(thian-4-ylamino)phenyl]carbamate
CID 107240824
tert-butyl N-[(3S)-thiolan-3-yl]carbamate
CID 15148694
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107240249
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
tert-butyl N-[4-[6-(thian-4-ylamino)-3-pyridinyl]naphthalen-1-yl]carbamate
CID 18684930
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[4-fluoro-2-(thiolan-3-ylmethylamino)phenyl]carbamate
CID 107240887
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate
CID 107240302

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate (CID 107240241) is tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1NC1CCSC1.
What is the InChIKey of tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate?
The InChIKey is DNXLYHCKZXRBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(2,3)19-14(18)17-13-7-5-4-6-12(13)16-11-8-9-20-10-11/h4-7,11,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate?
tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate has a molecular weight of 294.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate is sourced from PubChem (CID 107240241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).