3-(cyclopropylsulfamoylamino)butan-2-one

C7H14N2O3S — CID 114808600

IUPAC3-(cyclopropylsulfamoylamino)butan-2-one
SMILESCC(=O)C(C)NS(=O)(=O)NC1CC1
InChIInChI=1S/C7H14N2O3S/c1-5(6(2)10)8-13(11,12)9-7-3-4-7/h5,7-9H,3-4H2,1-2H3
InChIKeyDEOJXOHBTSEVPF-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.45
Rot. Bonds5

About 3-(cyclopropylsulfamoylamino)butan-2-one

3-(cyclopropylsulfamoylamino)butan-2-one (PubChem CID 114808600) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)butan-2-one.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)butan-2-one
PubChem CID114808600
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name3-(cyclopropylsulfamoylamino)butan-2-one
SMILESCC(=O)C(C)NS(=O)(=O)NC1CC1
InChIInChI=1S/C7H14N2O3S/c1-5(6(2)10)8-13(11,12)9-7-3-4-7/h5,7-9H,3-4H2,1-2H3
InChIKeyDEOJXOHBTSEVPF-UHFFFAOYSA-N
XLogP-0.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylsulfamoylamino)propanoic acid
CID 114805252
2-(cyclopropylsulfamoylamino)pentan-3-one
CID 114808587
4-(propan-2-ylsulfamoylamino)cyclohexan-1-ol
CID 103946865
N-(butan-2-ylsulfamoyl)cyclopropanamine
CID 114383068
4-N-(cyclopropylsulfamoyl)pentane-2,4-diamine
CID 114812950
N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide
CID 122663020
2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
CID 114533415
2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114806990
2-(cyclopentylsulfamoylamino)-4-methyl-1-morpholin-4-ylpentan-1-one
CID 110625583
(3S)-N-(propan-2-ylsulfamoyl)piperidin-3-amine
CID 104982540
1-N-(cyclopropylsulfamoyl)-2-N-methylpropane-1,2-diamine
CID 103512559
1-N-methyl-4-N-(2-methylpropylsulfamoyl)cyclohexane-1,4-diamine
CID 114814968

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoylamino)butan-2-one?
The IUPAC name of 3-(cyclopropylsulfamoylamino)butan-2-one (CID 114808600) is 3-(cyclopropylsulfamoylamino)butan-2-one.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)butan-2-one?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)butan-2-one is CC(=O)C(C)NS(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)butan-2-one?
The InChIKey is DEOJXOHBTSEVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-5(6(2)10)8-13(11,12)9-7-3-4-7/h5,7-9H,3-4H2,1-2H3.
What are the key properties of 3-(cyclopropylsulfamoylamino)butan-2-one?
3-(cyclopropylsulfamoylamino)butan-2-one has a molecular weight of 206.27 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)butan-2-one is sourced from PubChem (CID 114808600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).