N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine

C12H25NO2S — CID 106732386

IUPACN,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine
SMILESCCCS(=O)(=O)CCC1CCC(NC)C1C
InChIInChI=1S/C12H25NO2S/c1-4-8-16(14,15)9-7-11-5-6-12(13-3)10(11)2/h10-13H,4-9H2,1-3H3
InChIKeyKKVYSKBHFGSRGQ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.84
Rot. Bonds6

About N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine

N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine (PubChem CID 106732386) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine
PubChem CID106732386
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine
SMILESCCCS(=O)(=O)CCC1CCC(NC)C1C
InChIInChI=1S/C12H25NO2S/c1-4-8-16(14,15)9-7-11-5-6-12(13-3)10(11)2/h10-13H,4-9H2,1-3H3
InChIKeyKKVYSKBHFGSRGQ-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245
1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane
CID 106732576
2-(2-propylsulfonylethyl)cyclobutan-1-amine
CID 106735337
3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65096786
3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol
CID 106732469
N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727237
N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
CID 106735490
N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106735608
N,2-dimethyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116627267
1-propylsulfonylpropane
CID 11709
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908
N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 106735579

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine?
The IUPAC name of N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine (CID 106732386) is N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine is CCCS(=O)(=O)CCC1CCC(NC)C1C.
What is the InChIKey of N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine?
The InChIKey is KKVYSKBHFGSRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-8-16(14,15)9-7-11-5-6-12(13-3)10(11)2/h10-13H,4-9H2,1-3H3.
What are the key properties of N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine?
N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine is sourced from PubChem (CID 106732386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).