1-sulfamoylpropan-2-ylcarbamic acid

C4H10N2O4S — CID 170165167

IUPAC1-sulfamoylpropan-2-ylcarbamic acid
SMILESCC(CS(N)(=O)=O)NC(=O)O
InChIInChI=1S/C4H10N2O4S/c1-3(6-4(7)8)2-11(5,9)10/h3,6H,2H2,1H3,(H,7,8)(H2,5,9,10)
InChIKeyDMVRECBEERFRSY-UHFFFAOYSA-N
MW182.20 g/mol
LogP-1.07
Rot. Bonds3

About 1-sulfamoylpropan-2-ylcarbamic acid

1-sulfamoylpropan-2-ylcarbamic acid (PubChem CID 170165167) has the molecular formula C4H10N2O4S and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-sulfamoylpropan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-sulfamoylpropan-2-ylcarbamic acid
PubChem CID170165167
Molecular FormulaC4H10N2O4S
Molecular Weight182.20 g/mol
Exact Mass182.04
IUPAC Name1-sulfamoylpropan-2-ylcarbamic acid
SMILESCC(CS(N)(=O)=O)NC(=O)O
InChIInChI=1S/C4H10N2O4S/c1-3(6-4(7)8)2-11(5,9)10/h3,6H,2H2,1H3,(H,7,8)(H2,5,9,10)
InChIKeyDMVRECBEERFRSY-UHFFFAOYSA-N
XLogP-1.07
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide
CID 167837204
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
[(2S)-1-sulfanylpropan-2-yl]carbamic acid
CID 135369697
[(2R)-4-iodobutan-2-yl]carbamic acid
CID 141075426
2-methylpropane-1-sulfonamide
CID 10197726
[(2S)-4-oxobutan-2-yl]carbamic acid
CID 91297255
5-hydroxypentan-2-ylcarbamic acid
CID 87586302
(1-chlorosulfonyl-3-methylbutan-2-yl)carbamic acid
CID 18694097
pent-4-en-2-ylcarbamic acid
CID 146626901
methyl (2R)-2-acetamido-3-sulfamoylpropanoate
CID 21117273
(2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide
CID 139520541

Frequently Asked Questions

What is the IUPAC name of 1-sulfamoylpropan-2-ylcarbamic acid?
The IUPAC name of 1-sulfamoylpropan-2-ylcarbamic acid (CID 170165167) is 1-sulfamoylpropan-2-ylcarbamic acid.
What is the SMILES notation for 1-sulfamoylpropan-2-ylcarbamic acid?
The canonical SMILES for 1-sulfamoylpropan-2-ylcarbamic acid is CC(CS(N)(=O)=O)NC(=O)O.
What is the InChIKey of 1-sulfamoylpropan-2-ylcarbamic acid?
The InChIKey is DMVRECBEERFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O4S/c1-3(6-4(7)8)2-11(5,9)10/h3,6H,2H2,1H3,(H,7,8)(H2,5,9,10).
What are the key properties of 1-sulfamoylpropan-2-ylcarbamic acid?
1-sulfamoylpropan-2-ylcarbamic acid has a molecular weight of 182.20 g/mol, XLogP of -1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfamoylpropan-2-ylcarbamic acid is sourced from PubChem (CID 170165167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).