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

C15H25N3O2S — CID 79113990

IUPACN-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H25N3O2S/c1-2-18(15-8-6-13(16)7-9-15)21(19,20)12-10-14-5-3-4-11-17-14/h3-5,11,13,15H,2,6-10,12,16H2,1H3
InChIKeyRPDOIQXBBUOJFX-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.55
Rot. Bonds6

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

N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide (PubChem CID 79113990) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
PubChem CID79113990
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H25N3O2S/c1-2-18(15-8-6-13(16)7-9-15)21(19,20)12-10-14-5-3-4-11-17-14/h3-5,11,13,15H,2,6-10,12,16H2,1H3
InChIKeyRPDOIQXBBUOJFX-UHFFFAOYSA-N
XLogP1.55
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995
N-(4-aminocyclohexyl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 114290016
2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60864750
N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 79116756
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 116652205
3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
CID 79469541
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 106630345
4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid
CID 60950649
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide (CID 79113990) is N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide is CCN(C1CCC(N)CC1)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide?
The InChIKey is RPDOIQXBBUOJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-18(15-8-6-13(16)7-9-15)21(19,20)12-10-14-5-3-4-11-17-14/h3-5,11,13,15H,2,6-10,12,16H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide?
N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 79113990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).