N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine

C13H23NS — CID 103277164

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine
SMILESCC1=CC(C)CC(CNC2CCSC2)C1
InChIInChI=1S/C13H23NS/c1-10-5-11(2)7-12(6-10)8-14-13-3-4-15-9-13/h5,10,12-14H,3-4,6-9H2,1-2H3
InChIKeyFBGFGPJLCZLBEK-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.07
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine (PubChem CID 103277164) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine
PubChem CID103277164
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine
SMILESCC1=CC(C)CC(CNC2CCSC2)C1
InChIInChI=1S/C13H23NS/c1-10-5-11(2)7-12(6-10)8-14-13-3-4-15-9-13/h5,10,12-14H,3-4,6-9H2,1-2H3
InChIKeyFBGFGPJLCZLBEK-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine 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

2-(2,6-Dimethylhept-5-en-1-yl)-1,3-thiazolidine
CID 3058776
2,6-Dimethyl-3-(5-methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 71166149
7-Methyl-2,3,5,6,7,7a-hexahydro-1-benzothiophen-6-amine
CID 89153960
6-Ethyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89272406
N-ethyl-3,3a,8,8a-tetrahydro-2H-cyclohepta[b]thiophen-3-amine
CID 91535702
4-(7-Methyl-2,3,4,5-tetrahydrothiepin-2-yl)piperidine
CID 123393048
3,4,11-Trimethyl-2-thia-10-azabicyclo[5.5.0]dodec-1(7)-ene
CID 123469460
N-[2-(3-methylsulfanyl-1,2,8,9,10,10a-hexahydrobenzo[8]annulen-7-yl)ethyl]propan-2-amine
CID 123952870
(1S)-1-[(10R)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016251
(1R)-1-[(10R)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016252
(1R)-1-[(10S)-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl]-N-methylethanamine
CID 129016254
1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine
CID 130217337

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine (CID 103277164) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine is CC1=CC(C)CC(CNC2CCSC2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine?
The InChIKey is FBGFGPJLCZLBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-10-5-11(2)7-12(6-10)8-14-13-3-4-15-9-13/h5,10,12-14H,3-4,6-9H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine has a molecular weight of 225.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 103277164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).