3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid

C8H16N2O4S — CID 114533437

IUPAC3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid
SMILESCC(C)(CNS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-8(2,7(11)12)5-9-15(13,14)10-6-3-4-6/h6,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyQTWIOVVVUCDCHP-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.32
Rot. Bonds6

About 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid

3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid (PubChem CID 114533437) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid
PubChem CID114533437
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid
SMILESCC(C)(CNS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-8(2,7(11)12)5-9-15(13,14)10-6-3-4-6/h6,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyQTWIOVVVUCDCHP-UHFFFAOYSA-N
XLogP-0.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
1-(cyclopropylsulfamoylamino)-2,4-dimethylpentan-2-ol
CID 114809675
1-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
CID 114811238
3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427537
2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 115427404
(cyclopropylsulfamoylamino)methanol
CID 117126061
3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2,2-dimethylpropanoic acid
CID 79623575
2-[(cyclopropylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806457
2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
CID 79624339
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
1-cyclopropyl-2-(cyclopropylsulfamoylamino)ethanol
CID 114383309
1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine
CID 114814968

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid (CID 114533437) is 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid is CC(C)(CNS(=O)(=O)NC1CC1)C(=O)O.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid?
The InChIKey is QTWIOVVVUCDCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-8(2,7(11)12)5-9-15(13,14)10-6-3-4-6/h6,9-10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid?
3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 114533437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).