[(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid

C5H11N3O4S — CID 69493207

IUPAC[(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid
SMILESNS(=O)(=O)[C@@]1(NC(=O)O)CCNC1
InChIInChI=1S/C5H11N3O4S/c6-13(11,12)5(8-4(9)10)1-2-7-3-5/h7-8H,1-3H2,(H,9,10)(H2,6,11,12)/t5-/m0/s1
InChIKeyBBKUTBDPSQKWRO-YFKPBYRVSA-N
MW209.23 g/mol
LogP-1.77
Rot. Bonds2

About [(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid

[(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid (PubChem CID 69493207) has the molecular formula C5H11N3O4S and a molecular weight of 209.23 g/mol. Its IUPAC name is [(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid
PubChem CID69493207
Molecular FormulaC5H11N3O4S
Molecular Weight209.23 g/mol
Exact Mass209.05
IUPAC Name[(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid
SMILESNS(=O)(=O)[C@@]1(NC(=O)O)CCNC1
InChIInChI=1S/C5H11N3O4S/c6-13(11,12)5(8-4(9)10)1-2-7-3-5/h7-8H,1-3H2,(H,9,10)(H2,6,11,12)/t5-/m0/s1
InChIKeyBBKUTBDPSQKWRO-YFKPBYRVSA-N
XLogP-1.77
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclohexylsulfonylcyclohexyl)carbamic acid
CID 157352651
(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
CID 121334668
N-[(3R)-3-(benzenesulfonyl)pyrrolidin-3-yl]-1-phenylsulfanylcyclopropane-1-carboxamide
CID 69259315
(4-ethylpiperidin-4-yl)carbamic acid
CID 141381339
[(3S)-3-(4-nitrophenyl)pyrrolidin-3-yl]carbamic acid
CID 69352323
(3S)-3-hydroxypyrrolidine-3-carboxamide
CID 97359016
2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid
CID 67879235
N-[(3R)-3-[3-(bromomethyl)-2,4-dichlorophenyl]sulfonylpyrrolidin-3-yl]acetamide
CID 70192376
bis(2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide);oxalic acid
CID 112758336
N-[(3S)-3-(4-aminophenyl)pyrrolidin-3-yl]acetamide
CID 69352252
N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63139281
[(4-methylpiperidin-4-yl)amino]carbamic acid
CID 174694295

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid (CID 69493207) is [(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid is NS(=O)(=O)[C@@]1(NC(=O)O)CCNC1.
What is the InChIKey of [(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid?
The InChIKey is BBKUTBDPSQKWRO-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11N3O4S/c6-13(11,12)5(8-4(9)10)1-2-7-3-5/h7-8H,1-3H2,(H,9,10)(H2,6,11,12)/t5-/m0/s1.
What are the key properties of [(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid?
[(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid has a molecular weight of 209.23 g/mol, XLogP of -1.77, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 69493207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).