2-(aminomethyl)-N-cyclopropylsulfonylpentanamide

C9H18N2O3S — CID 103308238

IUPAC2-(aminomethyl)-N-cyclopropylsulfonylpentanamide
SMILESCCCC(CN)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H18N2O3S/c1-2-3-7(6-10)9(12)11-15(13,14)8-4-5-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyFKMVDQPAUJPTIL-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.03
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropylsulfonylpentanamide

2-(aminomethyl)-N-cyclopropylsulfonylpentanamide (PubChem CID 103308238) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropylsulfonylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropylsulfonylpentanamide
PubChem CID103308238
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-(aminomethyl)-N-cyclopropylsulfonylpentanamide
SMILESCCCC(CN)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H18N2O3S/c1-2-3-7(6-10)9(12)11-15(13,14)8-4-5-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyFKMVDQPAUJPTIL-UHFFFAOYSA-N
XLogP-0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-ethylsulfonylpentanamide
CID 103306734
3-(aminomethyl)-N-cyclopropylsulfonylpentanamide
CID 103308662
2-(aminomethyl)-N-(2-methylcyclopropyl)pentanamide
CID 62397144
2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
CID 81393086
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
CID 106135811
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
2-(aminomethyl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 65224886
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 65225132
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)pentanamide
CID 79870952
3-amino-N-cyclopropylsulfonylpentanamide
CID 103308447
(2R)-2-[2-(aminomethyl)pentanoylamino]-3-hydroxypropanoic acid
CID 80750422

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropylsulfonylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropylsulfonylpentanamide (CID 103308238) is 2-(aminomethyl)-N-cyclopropylsulfonylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropylsulfonylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropylsulfonylpentanamide is CCCC(CN)C(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropylsulfonylpentanamide?
The InChIKey is FKMVDQPAUJPTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-3-7(6-10)9(12)11-15(13,14)8-4-5-8/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-N-cyclopropylsulfonylpentanamide?
2-(aminomethyl)-N-cyclopropylsulfonylpentanamide has a molecular weight of 234.32 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropylsulfonylpentanamide is sourced from PubChem (CID 103308238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).