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

C14H28N2O3S — CID 79111577

IUPACN-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)S(C)(=O)=O)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O3S/c1-5-10-16(12-8-6-11(15)7-9-12)13(17)14(2,3)20(4,18)19/h11-12H,5-10,15H2,1-4H3
InChIKeyNEGCMVPWHDAWAZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.32
Rot. Bonds5

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

N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide (PubChem CID 79111577) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide
PubChem CID79111577
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)S(C)(=O)=O)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O3S/c1-5-10-16(12-8-6-11(15)7-9-12)13(17)14(2,3)20(4,18)19/h11-12H,5-10,15H2,1-4H3
InChIKeyNEGCMVPWHDAWAZ-UHFFFAOYSA-N
XLogP1.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide (CID 79111577) is N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide is CCCN(C(=O)C(C)(C)S(C)(=O)=O)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide?
The InChIKey is NEGCMVPWHDAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-5-10-16(12-8-6-11(15)7-9-12)13(17)14(2,3)20(4,18)19/h11-12H,5-10,15H2,1-4H3.
What are the key properties of N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide?
N-(4-aminocyclohexyl)-2-methyl-2-methylsulfonyl-N-propylpropanamide has a molecular weight of 304.46 g/mol, XLogP of 1.32, 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-methyl-2-methylsulfonyl-N-propylpropanamide is sourced from PubChem (CID 79111577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).