N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide

C12H26N2O2S — CID 65045736

IUPACN-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNC1CCCC1C)S(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-4-14(17(3,15)16)10-6-9-13-12-8-5-7-11(12)2/h11-13H,4-10H2,1-3H3
InChIKeyMPRLWECJZSVIGJ-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.44
Rot. Bonds7

About N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide (PubChem CID 65045736) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide
PubChem CID65045736
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNC1CCCC1C)S(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-4-14(17(3,15)16)10-6-9-13-12-8-5-7-11(12)2/h11-13H,4-10H2,1-3H3
InChIKeyMPRLWECJZSVIGJ-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.44
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

N-[3-(cycloheptylamino)propyl]-N-ethylmethanesulfonamide
CID 54903530
N-ethyl-N-[3-[(3-methylcyclopentyl)amino]propyl]methanesulfonamide
CID 64502160
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923135
6-[(2-methylcyclopentyl)amino]hexan-1-ol
CID 115906759
N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide
CID 54903531
N-ethyl-N-[3-(oxepan-4-ylamino)propyl]methanesulfonamide
CID 65081506
2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106723715
N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide
CID 54903580
N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide
CID 65073766
tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
CID 107242659
N,N-dimethyl-4-[(2-methylcyclopentyl)amino]butanamide
CID 63278012
N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide
CID 62632830

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide (CID 65045736) is N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide is CCN(CCCNC1CCCC1C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide?
The InChIKey is MPRLWECJZSVIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-14(17(3,15)16)10-6-9-13-12-8-5-7-11(12)2/h11-13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 65045736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).