N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine

C13H18ClNS — CID 81377862

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine
SMILESCC1CC(N[C@H](C)c2ccccc2Cl)CS1
InChIInChI=1S/C13H18ClNS/c1-9-7-11(8-16-9)15-10(2)12-5-3-4-6-13(12)14/h3-6,9-11,15H,7-8H2,1-2H3/t9?,10-,11?/m1/s1
InChIKeyNLMBWTRJKBQLNC-HSOILSAZSA-N
MW255.81 g/mol
LogP3.88
Rot. Bonds3

About N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine

N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine (PubChem CID 81377862) has the molecular formula C13H18ClNS and a molecular weight of 255.81 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine
PubChem CID81377862
Molecular FormulaC13H18ClNS
Molecular Weight255.81 g/mol
Exact Mass255.08
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine
SMILESCC1CC(N[C@H](C)c2ccccc2Cl)CS1
InChIInChI=1S/C13H18ClNS/c1-9-7-11(8-16-9)15-10(2)12-5-3-4-6-13(12)14/h3-6,9-11,15H,7-8H2,1-2H3/t9?,10-,11?/m1/s1
InChIKeyNLMBWTRJKBQLNC-HSOILSAZSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-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

1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
CID 81377651
N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(2-chlorophenyl)ethyl]thian-3-amine
CID 62873606
N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine
CID 81402631
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585198
N-[1-(2-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981846
N-[1-(4-tert-butylphenyl)ethyl]-5-methylthiolan-3-amine
CID 79941615
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475
3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634204

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine (CID 81377862) is N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine is CC1CC(N[C@H](C)c2ccccc2Cl)CS1.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine?
The InChIKey is NLMBWTRJKBQLNC-HSOILSAZSA-N. The full InChI is InChI=1S/C13H18ClNS/c1-9-7-11(8-16-9)15-10(2)12-5-3-4-6-13(12)14/h3-6,9-11,15H,7-8H2,1-2H3/t9?,10-,11?/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine?
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine has a molecular weight of 255.81 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 81377862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).