6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine

C15H31NO2S — CID 106807857

IUPAC6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C15H31NO2S/c1-3-11-16-15(4-2)10-7-12-19(17,18)13-14-8-5-6-9-14/h14-16H,3-13H2,1-2H3
InChIKeyBTDHFMCVVONJQU-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.15
Rot. Bonds10

About 6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine

6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine (PubChem CID 106807857) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is 6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine
PubChem CID106807857
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C15H31NO2S/c1-3-11-16-15(4-2)10-7-12-19(17,18)13-14-8-5-6-9-14/h14-16H,3-13H2,1-2H3
InChIKeyBTDHFMCVVONJQU-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopentylmethylsulfonyl)pentan-2-amine
CID 64676281
N-(2-cyclopentylethyl)heptan-3-amine
CID 63945725
N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
CID 64676476
N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
CID 104754263
N-[2-(cyclopentylmethylsulfonyl)-1-cyclopropylethyl]propan-1-amine
CID 64674734
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
6-(2-cyclobutylethoxy)-N-propylhexan-3-amine
CID 106201058
1-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine
CID 64676293
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
N-(3-cyclopentylpropyl)hexan-3-amine
CID 106008928
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
5-(oxolan-2-ylmethylsulfonyl)-N-propylpentan-2-amine
CID 106496039

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine?
The IUPAC name of 6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine (CID 106807857) is 6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine.
What is the SMILES notation for 6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine?
The canonical SMILES for 6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine is CCCNC(CC)CCCS(=O)(=O)CC1CCCC1.
What is the InChIKey of 6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine?
The InChIKey is BTDHFMCVVONJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-3-11-16-15(4-2)10-7-12-19(17,18)13-14-8-5-6-9-14/h14-16H,3-13H2,1-2H3.
What are the key properties of 6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine?
6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine has a molecular weight of 289.48 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine is sourced from PubChem (CID 106807857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).