tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate

C17H25NO4S — CID 21109996

IUPACtert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H](CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H25NO4S/c1-17(2,3)22-16(19)18-14-10-9-13(11-14)12-23(20,21)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,18,19)/t13-,14+/m0/s1
InChIKeyDENHSGCPSULVHP-UONOGXRCSA-N
MW339.46 g/mol
LogP3.15
Rot. Bonds4

About tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate

tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate (PubChem CID 21109996) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate
PubChem CID21109996
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Nametert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H](CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H25NO4S/c1-17(2,3)22-16(19)18-14-10-9-13(11-14)12-23(20,21)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,18,19)/t13-,14+/m0/s1
InChIKeyDENHSGCPSULVHP-UONOGXRCSA-N
XLogP3.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]cyclohexyl]carbamate
CID 67054720
tert-butyl N-[(1R,3R,4S)-4-amino-3-[(4-chlorophenyl)sulfonylmethyl]cyclohexyl]carbamate
CID 90966412
tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate
CID 69148440
tert-butyl N-[(1R,3S)-3-[[(4-methylsulfonylphenyl)sulfonylamino]methyl]cyclopentyl]carbamate
CID 11661983
tert-butyl N-[3-(benzenesulfonylmethyl)-4-[[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]amino]cyclohexyl]carbamate
CID 69038437
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
CID 20729715
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(methylsulfonylmethyl)cyclohexyl]carbamate
CID 69285763
2-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl methanesulfonate
CID 18453433
tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
CID 77144961
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate (CID 21109996) is tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate?
The InChIKey is DENHSGCPSULVHP-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-17(2,3)22-16(19)18-14-10-9-13(11-14)12-23(20,21)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,18,19)/t13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate?
tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate has a molecular weight of 339.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate is sourced from PubChem (CID 21109996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).