3-(aminomethyl)-N-cyclopropylsulfonylpentanamide

C9H18N2O3S — CID 103308662

IUPAC3-(aminomethyl)-N-cyclopropylsulfonylpentanamide
SMILESCCC(CN)CC(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H18N2O3S/c1-2-7(6-10)5-9(12)11-15(13,14)8-3-4-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyFFSVBDGDDCJANA-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.03
Rot. Bonds6

About 3-(aminomethyl)-N-cyclopropylsulfonylpentanamide

3-(aminomethyl)-N-cyclopropylsulfonylpentanamide (PubChem CID 103308662) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropylsulfonylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropylsulfonylpentanamide
PubChem CID103308662
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-(aminomethyl)-N-cyclopropylsulfonylpentanamide
SMILESCCC(CN)CC(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C9H18N2O3S/c1-2-7(6-10)5-9(12)11-15(13,14)8-3-4-8/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyFFSVBDGDDCJANA-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

3-amino-N-cyclopropylsulfonylpentanamide
CID 103308447
3-(aminomethyl)pentanehydrazide
CID 81079841
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
2-(aminomethyl)-N-cyclopropylsulfonylpentanamide
CID 103308238
3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 81071434
3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide
CID 83021752
3-(aminomethyl)-N-(1-cyclohexylethyl)pentanamide
CID 81086978
3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide
CID 81076013
2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid
CID 81079851
N-cyclopropylsulfonyl-3-(methylamino)propanamide
CID 103308490
(3S)-3-(aminomethyl)-N-ethylsulfonyl-5-methylhexanamide
CID 103307051
N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
CID 81083957

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopropylsulfonylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-cyclopropylsulfonylpentanamide (CID 103308662) is 3-(aminomethyl)-N-cyclopropylsulfonylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropylsulfonylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropylsulfonylpentanamide is CCC(CN)CC(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropylsulfonylpentanamide?
The InChIKey is FFSVBDGDDCJANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-7(6-10)5-9(12)11-15(13,14)8-3-4-8/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 3-(aminomethyl)-N-cyclopropylsulfonylpentanamide?
3-(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 3-(aminomethyl)-N-cyclopropylsulfonylpentanamide is sourced from PubChem (CID 103308662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).