1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine

C12H25NO2S — CID 103168351

IUPAC1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
SMILESCCNC(CCCS(C)(=O)=O)CC1CCC1
InChIInChI=1S/C12H25NO2S/c1-3-13-12(10-11-6-4-7-11)8-5-9-16(2,14)15/h11-13H,3-10H2,1-2H3
InChIKeyPMJNOCKNFOVBHW-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds8

About 1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine

1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine (PubChem CID 103168351) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
PubChem CID103168351
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
SMILESCCNC(CCCS(C)(=O)=O)CC1CCC1
InChIInChI=1S/C12H25NO2S/c1-3-13-12(10-11-6-4-7-11)8-5-9-16(2,14)15/h11-13H,3-10H2,1-2H3
InChIKeyPMJNOCKNFOVBHW-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
CID 115820359
5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105112949
1-cyclobutyl-5-methylsulfonylpentan-2-amine
CID 103168350
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cyclobutyl-N-ethyl-5-methylhexan-2-amine
CID 65458371
N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
N-ethyl-1-methylsulfonyldodecan-4-amine
CID 115820985
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine
CID 115716722
N-ethyl-4-methylsulfonyl-1-(oxan-4-yl)butan-1-amine
CID 65334712

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine?
The IUPAC name of 1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine (CID 103168351) is 1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine is CCNC(CCCS(C)(=O)=O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine?
The InChIKey is PMJNOCKNFOVBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-13-12(10-11-6-4-7-11)8-5-9-16(2,14)15/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine?
1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 103168351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).