N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide

C14H23N3O2S — CID 79120995

IUPACN-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H23N3O2S/c1-17(14-7-5-12(15)6-8-14)20(18,19)11-9-13-4-2-3-10-16-13/h2-4,10,12,14H,5-9,11,15H2,1H3
InChIKeyBHEAILQTLCQPHF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.16
Rot. Bonds5

About N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide

N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide (PubChem CID 79120995) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
PubChem CID79120995
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H23N3O2S/c1-17(14-7-5-12(15)6-8-14)20(18,19)11-9-13-4-2-3-10-16-13/h2-4,10,12,14H,5-9,11,15H2,1H3
InChIKeyBHEAILQTLCQPHF-UHFFFAOYSA-N
XLogP1.16
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
CID 79113990
N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 79116756
N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 114290016
3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
CID 79469541
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 116652205
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60864750
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366
4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
CID 79724278
(2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 99647030

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide (CID 79120995) is N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide is CN(C1CCC(N)CC1)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
The InChIKey is BHEAILQTLCQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17(14-7-5-12(15)6-8-14)20(18,19)11-9-13-4-2-3-10-16-13/h2-4,10,12,14H,5-9,11,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide?
N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 79120995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).