2-(aminomethyl)-N-ethylsulfonylpentanamide

C8H18N2O3S — CID 103306734

IUPAC2-(aminomethyl)-N-ethylsulfonylpentanamide
SMILESCCCC(CN)C(=O)NS(=O)(=O)CC
InChIInChI=1S/C8H18N2O3S/c1-3-5-7(6-9)8(11)10-14(12,13)4-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyFHNMAVYZSLXSMB-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.17
Rot. Bonds6

About 2-(aminomethyl)-N-ethylsulfonylpentanamide

2-(aminomethyl)-N-ethylsulfonylpentanamide (PubChem CID 103306734) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethylsulfonylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethylsulfonylpentanamide
PubChem CID103306734
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-(aminomethyl)-N-ethylsulfonylpentanamide
SMILESCCCC(CN)C(=O)NS(=O)(=O)CC
InChIInChI=1S/C8H18N2O3S/c1-3-5-7(6-9)8(11)10-14(12,13)4-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyFHNMAVYZSLXSMB-UHFFFAOYSA-N
XLogP-0.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-cyclopropylsulfonylpentanamide
CID 103308238
(2R)-2-[2-(aminomethyl)pentanoylamino]-3-hydroxypropanoic acid
CID 80750422
4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
CID 80539749
methyl 2-(aminomethyl)pentanoate
CID 65220226
2-[2-(aminomethyl)pentanoylamino]-3,3-dimethylbutanoic acid
CID 65229352
2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid
CID 81077823
2-ethyl-N-methylsulfonylpentanamide;hydrochloride
CID 142463434
2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
CID 106188010
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564259
2-(aminomethyl)-N-(2-methylcyclopropyl)pentanamide
CID 62397144
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide
CID 106175532
5-amino-N-ethylsulfonyl-4-methylpentanamide
CID 103306873

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethylsulfonylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-ethylsulfonylpentanamide (CID 103306734) is 2-(aminomethyl)-N-ethylsulfonylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethylsulfonylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-ethylsulfonylpentanamide is CCCC(CN)C(=O)NS(=O)(=O)CC.
What is the InChIKey of 2-(aminomethyl)-N-ethylsulfonylpentanamide?
The InChIKey is FHNMAVYZSLXSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-5-7(6-9)8(11)10-14(12,13)4-2/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-(aminomethyl)-N-ethylsulfonylpentanamide?
2-(aminomethyl)-N-ethylsulfonylpentanamide has a molecular weight of 222.31 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethylsulfonylpentanamide is sourced from PubChem (CID 103306734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).