3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine

C12H25NO2S — CID 107418219

IUPAC3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCS(=O)(=O)CCCNCC1CCCC1C
InChIInChI=1S/C12H25NO2S/c1-3-16(14,15)9-5-8-13-10-12-7-4-6-11(12)2/h11-13H,3-10H2,1-2H3
InChIKeyZWASLJOATCGMQV-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.84
Rot. Bonds7

About 3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine

3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107418219) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107418219
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCCS(=O)(=O)CCCNCC1CCCC1C
InChIInChI=1S/C12H25NO2S/c1-3-16(14,15)9-5-8-13-10-12-7-4-6-11(12)2/h11-13H,3-10H2,1-2H3
InChIKeyZWASLJOATCGMQV-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107417904
N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034450
N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide
CID 107417872
N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 107419516
3-[(2-methylcyclopentyl)methylamino]propanenitrile
CID 107418190
2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103710561
3-ethylsulfonyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65092724
N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
CID 106735490
N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
CID 63190759
2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418039
N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
CID 77032285
1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115900849

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of 3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine (CID 107418219) is 3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for 3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine is CCS(=O)(=O)CCCNCC1CCCC1C.
What is the InChIKey of 3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is ZWASLJOATCGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-16(14,15)9-5-8-13-10-12-7-4-6-11(12)2/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine?
3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107418219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).