[3-(methanesulfonamido)-3-oxopropyl]carbamic acid

C5H10N2O5S — CID 87207145

IUPAC[3-(methanesulfonamido)-3-oxopropyl]carbamic acid
SMILESCS(=O)(=O)NC(=O)CCNC(=O)O
InChIInChI=1S/C5H10N2O5S/c1-13(11,12)7-4(8)2-3-6-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyZGGXWJKFUFQXNY-UHFFFAOYSA-N
MW210.21 g/mol
LogP-1.28
Rot. Bonds4

About [3-(methanesulfonamido)-3-oxopropyl]carbamic acid

[3-(methanesulfonamido)-3-oxopropyl]carbamic acid (PubChem CID 87207145) has the molecular formula C5H10N2O5S and a molecular weight of 210.21 g/mol. Its IUPAC name is [3-(methanesulfonamido)-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-(methanesulfonamido)-3-oxopropyl]carbamic acid
PubChem CID87207145
Molecular FormulaC5H10N2O5S
Molecular Weight210.21 g/mol
Exact Mass210.03
IUPAC Name[3-(methanesulfonamido)-3-oxopropyl]carbamic acid
SMILESCS(=O)(=O)NC(=O)CCNC(=O)O
InChIInChI=1S/C5H10N2O5S/c1-13(11,12)7-4(8)2-3-6-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyZGGXWJKFUFQXNY-UHFFFAOYSA-N
XLogP-1.28
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-methylsulfonylpropanamide
CID 22045909
3-amino-N-methylsulfonylpropanamide
CID 14028235
3-[[(2S)-2-methylsulfanyl-2-phenylacetyl]amino]-N-methylsulfonylpropanamide
CID 124843564
3-[[2-(2-chloro-3-methylphenyl)acetyl]amino]-N-methylsulfonylpropanamide
CID 119051620
2-(3-acetamidopropanoylamino)ethylcarbamic acid
CID 19805641
[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid
CID 89354433
azane;2-methylsulfonylethylcarbamic acid
CID 174924120
5-amino-N-methylsulfonylpentanamide
CID 103287281
trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124623703
6-amino-4-methyl-N-methylsulfonylhexanamide
CID 103287350
(2R)-N-[3-(methanesulfonamido)-3-oxopropyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 124842764
2-(carboxyamino)ethanesulfonic acid
CID 22476560

Frequently Asked Questions

What is the IUPAC name of [3-(methanesulfonamido)-3-oxopropyl]carbamic acid?
The IUPAC name of [3-(methanesulfonamido)-3-oxopropyl]carbamic acid (CID 87207145) is [3-(methanesulfonamido)-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-(methanesulfonamido)-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-(methanesulfonamido)-3-oxopropyl]carbamic acid is CS(=O)(=O)NC(=O)CCNC(=O)O.
What is the InChIKey of [3-(methanesulfonamido)-3-oxopropyl]carbamic acid?
The InChIKey is ZGGXWJKFUFQXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5S/c1-13(11,12)7-4(8)2-3-6-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of [3-(methanesulfonamido)-3-oxopropyl]carbamic acid?
[3-(methanesulfonamido)-3-oxopropyl]carbamic acid has a molecular weight of 210.21 g/mol, XLogP of -1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methanesulfonamido)-3-oxopropyl]carbamic acid is sourced from PubChem (CID 87207145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).