N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide

C13H26N2O3S — CID 104520783

IUPACN-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)S(C)(=O)=O)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O3S/c1-4-9-15(12-7-5-11(14)6-8-12)13(16)10(2)19(3,17)18/h10-12H,4-9,14H2,1-3H3
InChIKeyMLUGSBDHMXDAND-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.93
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide

N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide (PubChem CID 104520783) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide
PubChem CID104520783
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)S(C)(=O)=O)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O3S/c1-4-9-15(12-7-5-11(14)6-8-12)13(16)10(2)19(3,17)18/h10-12H,4-9,14H2,1-3H3
InChIKeyMLUGSBDHMXDAND-UHFFFAOYSA-N
XLogP0.93
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-2-methylsulfonylpropanamide
CID 104522298
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
CID 79011597
N-(4-aminocyclohexyl)-N-propylcyclobutanecarboxamide
CID 79111722
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531
2-amino-N-cyclopropyl-4-methyl-N-propylpentanamide
CID 43270485
N-(4-aminocyclohexyl)-4-methyl-N-propylpiperidine-1-carboxamide
CID 79162762
2-[(4-aminocyclohexyl)-propylamino]-N,N-dimethylpropanamide
CID 79112315
N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide
CID 79115669
N-(4-aminocyclohexyl)-N-ethyl-2-methylpentanamide
CID 79115926
N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide
CID 79112456
N-(4-aminocyclohexyl)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 79112448
1-(4-aminocyclohexyl)-1,3-dipropylurea
CID 79111587

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide (CID 104520783) is N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide is CCCN(C(=O)C(C)S(C)(=O)=O)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide?
The InChIKey is MLUGSBDHMXDAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-9-15(12-7-5-11(14)6-8-12)13(16)10(2)19(3,17)18/h10-12H,4-9,14H2,1-3H3.
What are the key properties of N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide?
N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide is sourced from PubChem (CID 104520783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).