2-(cyclopropylsulfamoylamino)pentan-3-one

C8H16N2O3S — CID 114808587

IUPAC2-(cyclopropylsulfamoylamino)pentan-3-one
SMILESCCC(=O)C(C)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H16N2O3S/c1-3-8(11)6(2)9-14(12,13)10-7-4-5-7/h6-7,9-10H,3-5H2,1-2H3
InChIKeyZKEFRDJNIDDKEC-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.06
Rot. Bonds6

About 2-(cyclopropylsulfamoylamino)pentan-3-one

2-(cyclopropylsulfamoylamino)pentan-3-one (PubChem CID 114808587) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)pentan-3-one.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)pentan-3-one
PubChem CID114808587
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-(cyclopropylsulfamoylamino)pentan-3-one
SMILESCCC(=O)C(C)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H16N2O3S/c1-3-8(11)6(2)9-14(12,13)10-7-4-5-7/h6-7,9-10H,3-5H2,1-2H3
InChIKeyZKEFRDJNIDDKEC-UHFFFAOYSA-N
XLogP-0.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylsulfamoylamino)propanoic acid
CID 114805252
3-(cyclopropylsulfamoylamino)butan-2-one
CID 114808600
N-(butan-2-ylsulfamoyl)cyclopropanamine
CID 114383068
4-(propan-2-ylsulfamoylamino)cyclohexan-1-ol
CID 103946865
4-N-(cyclopropylsulfamoyl)pentane-2,4-diamine
CID 114812950
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
CID 114533415
2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114806990
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate
CID 64994359
4-(ethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 60808887
1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine
CID 114814968

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)pentan-3-one?
The IUPAC name of 2-(cyclopropylsulfamoylamino)pentan-3-one (CID 114808587) is 2-(cyclopropylsulfamoylamino)pentan-3-one.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)pentan-3-one?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)pentan-3-one is CCC(=O)C(C)NS(=O)(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)pentan-3-one?
The InChIKey is ZKEFRDJNIDDKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-3-8(11)6(2)9-14(12,13)10-7-4-5-7/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 2-(cyclopropylsulfamoylamino)pentan-3-one?
2-(cyclopropylsulfamoylamino)pentan-3-one has a molecular weight of 220.29 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)pentan-3-one is sourced from PubChem (CID 114808587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).