2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine

C17H27NS — CID 64649807

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1Sc1cc(C)ccc1C
InChIInChI=1S/C17H27NS/c1-4-18-15-8-6-5-7-9-16(15)19-17-12-13(2)10-11-14(17)3/h10-12,15-16,18H,4-9H2,1-3H3
InChIKeyUETPRHRNAUERNM-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.71
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine

2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine (PubChem CID 64649807) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine
PubChem CID64649807
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1Sc1cc(C)ccc1C
InChIInChI=1S/C17H27NS/c1-4-18-15-8-6-5-7-9-16(15)19-17-12-13(2)10-11-14(17)3/h10-12,15-16,18H,4-9H2,1-3H3
InChIKeyUETPRHRNAUERNM-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-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-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclooctan-1-amine
CID 64648566
N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64619864
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649741
2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64614748
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
CID 107784224
N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
CID 64620707
2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64620313
2-(2,5-dimethylphenyl)sulfanylcyclohexane-1-carbonitrile
CID 43293186
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784168
2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64649672
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 102926543
2-(2,5-difluorophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64648677

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine (CID 64649807) is 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1Sc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine?
The InChIKey is UETPRHRNAUERNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-4-18-15-8-6-5-7-9-16(15)19-17-12-13(2)10-11-14(17)3/h10-12,15-16,18H,4-9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine?
2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 64649807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).