N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide

C15H28N2OS — CID 81452410

IUPACN-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide
SMILESCCCN(C(=O)C1(C)CCCS1)C1CCC(N)CC1
InChIInChI=1S/C15H28N2OS/c1-3-10-17(13-7-5-12(16)6-8-13)14(18)15(2)9-4-11-19-15/h12-13H,3-11,16H2,1-2H3
InChIKeyYAOJBLSDNOIRSY-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.78
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide

N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide (PubChem CID 81452410) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide
PubChem CID81452410
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide
SMILESCCCN(C(=O)C1(C)CCCS1)C1CCC(N)CC1
InChIInChI=1S/C15H28N2OS/c1-3-10-17(13-7-5-12(16)6-8-13)14(18)15(2)9-4-11-19-15/h12-13H,3-11,16H2,1-2H3
InChIKeyYAOJBLSDNOIRSY-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropyl-(2-methylthiolane-2-carbonyl)amino]propanoic acid
CID 81452289
N-(2-chloroethyl)-N-cyclohexyl-2-methylthiolane-2-carboxamide
CID 81451854
N-(4-aminocyclohexyl)-N-propylcyclobutanecarboxamide
CID 79111722
N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide
CID 79112456
N-(4-aminocyclohexyl)-2-cyclopentyl-N-propylacetamide
CID 79111500
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531
2-[cyclopropylmethyl-(2-methylthiolane-2-carbonyl)amino]acetic acid
CID 81451507
N-(2-bromoethyl)-N-butyl-2-methylthiolane-2-carboxamide
CID 81451305
N-(4-aminocyclohexyl)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 79112448
1-(4-aminocyclohexyl)-1,3-dipropylurea
CID 79111587
2-(1-aminocyclohexyl)-N-cyclopropyl-N-propylacetamide
CID 64684772
3-[methyl-(2-methylthiolane-2-carbonyl)amino]propanoic acid
CID 81453018

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide (CID 81452410) is N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide is CCCN(C(=O)C1(C)CCCS1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide?
The InChIKey is YAOJBLSDNOIRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-3-10-17(13-7-5-12(16)6-8-13)14(18)15(2)9-4-11-19-15/h12-13H,3-11,16H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide?
N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide has a molecular weight of 284.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-methyl-N-propylthiolane-2-carboxamide is sourced from PubChem (CID 81452410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).