N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide

C15H30N2O2S — CID 62007437

IUPACN-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide
SMILESCCN(C1(CN)CCCC1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-2-17(15(13-16)10-6-7-11-15)20(18,19)12-14-8-4-3-5-9-14/h14H,2-13,16H2,1H3
InChIKeyWYBBSGHYCZSSLK-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.49
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide

N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide (PubChem CID 62007437) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide
PubChem CID62007437
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide
SMILESCCN(C1(CN)CCCC1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-2-17(15(13-16)10-6-7-11-15)20(18,19)12-14-8-4-3-5-9-14/h14H,2-13,16H2,1H3
InChIKeyWYBBSGHYCZSSLK-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide (CID 62007437) is N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide is CCN(C1(CN)CCCC1)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide?
The InChIKey is WYBBSGHYCZSSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-2-17(15(13-16)10-6-7-11-15)20(18,19)12-14-8-4-3-5-9-14/h14H,2-13,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide is sourced from PubChem (CID 62007437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).