N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine

C17H27NO2S — CID 115847181

IUPACN-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C17H27NO2S/c1-3-11-18-17(12-14-7-4-5-8-14)15-9-6-10-16(13-15)21(2,19)20/h6,9-10,13-14,17-18H,3-5,7-8,11-12H2,1-2H3
InChIKeyBEDVXAZZFPOPRQ-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.71
Rot. Bonds7

About N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine

N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine (PubChem CID 115847181) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine
PubChem CID115847181
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C17H27NO2S/c1-3-11-18-17(12-14-7-4-5-8-14)15-9-6-10-16(13-15)21(2,19)20/h6,9-10,13-14,17-18H,3-5,7-8,11-12H2,1-2H3
InChIKeyBEDVXAZZFPOPRQ-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
CID 115847281
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146
N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine
CID 115847441
N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
CID 65296826
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863525
N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
CID 65457651
2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine
CID 104986583
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 107993397
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine (CID 115847181) is N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine is CCCNC(CC1CCCC1)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine?
The InChIKey is BEDVXAZZFPOPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-11-18-17(12-14-7-4-5-8-14)15-9-6-10-16(13-15)21(2,19)20/h6,9-10,13-14,17-18H,3-5,7-8,11-12H2,1-2H3.
What are the key properties of N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine?
N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115847181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).