tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate

C16H32N2O4S — CID 110307436

IUPACtert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CNS(=O)(=O)C1CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O4S/c1-12(2)10-13(18-15(19)22-16(3,4)5)11-17-23(20,21)14-8-6-7-9-14/h12-14,17H,6-11H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyUHAUXHSDMUSOBE-ZDUSSCGKSA-N
MW348.51 g/mol
LogP2.79
Rot. Bonds7

About tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate

tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate (PubChem CID 110307436) has the molecular formula C16H32N2O4S and a molecular weight of 348.51 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate
PubChem CID110307436
Molecular FormulaC16H32N2O4S
Molecular Weight348.51 g/mol
Exact Mass348.21
IUPAC Nametert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CNS(=O)(=O)C1CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O4S/c1-12(2)10-13(18-15(19)22-16(3,4)5)11-17-23(20,21)14-8-6-7-9-14/h12-14,17H,6-11H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyUHAUXHSDMUSOBE-ZDUSSCGKSA-N
XLogP2.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-(1-cyano-4-methylpentan-2-yl)carbamate
CID 14925138
tert-butyl N-(1-hydroperoxy-4-methylpentan-2-yl)carbamate
CID 23598208
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate
CID 11832975
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
(2S)-3-cyclohexyl-2-[methyl-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]propanoic acid
CID 10068619
tert-butyl N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]carbamate
CID 101197526
tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate
CID 10805236

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate (CID 110307436) is tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate is CC(C)C[C@@H](CNS(=O)(=O)C1CCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate?
The InChIKey is UHAUXHSDMUSOBE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H32N2O4S/c1-12(2)10-13(18-15(19)22-16(3,4)5)11-17-23(20,21)14-8-6-7-9-14/h12-14,17H,6-11H2,1-5H3,(H,18,19)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate has a molecular weight of 348.51 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(cyclopentylsulfonylamino)-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 110307436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).