tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate

C8H16ClNO3S — CID 10243434

IUPACtert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)S(=O)Cl
InChIInChI=1S/C8H16ClNO3S/c1-6(14(9)12)5-10-7(11)13-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-,14?/m1/s1
InChIKeyAHZWDOSWAIIVPG-NFSFSXTOSA-N
MW241.74 g/mol
LogP1.80
Rot. Bonds3

About tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate

tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate (PubChem CID 10243434) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate
PubChem CID10243434
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Nametert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)S(=O)Cl
InChIInChI=1S/C8H16ClNO3S/c1-6(14(9)12)5-10-7(11)13-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-,14?/m1/s1
InChIKeyAHZWDOSWAIIVPG-NFSFSXTOSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl N-(2-chloro-2-nitrosoethyl)carbamate
CID 91269741
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
tert-butyl N-(2-methyl-3-oxopropyl)carbamate
CID 19791000
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate (CID 10243434) is tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate is C[C@H](CNC(=O)OC(C)(C)C)S(=O)Cl.
What is the InChIKey of tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate?
The InChIKey is AHZWDOSWAIIVPG-NFSFSXTOSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-6(14(9)12)5-10-7(11)13-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-,14?/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate?
tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate has a molecular weight of 241.74 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-chlorosulfinylpropyl]carbamate is sourced from PubChem (CID 10243434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).