3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine

C15H21ClFNOS — CID 115477312

IUPAC3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)c2ccc(F)c(Cl)c2)C1C
InChIInChI=1S/C15H21ClFNOS/c1-3-8-18-14-6-7-15(10(14)2)20(19)11-4-5-13(17)12(16)9-11/h4-5,9-10,14-15,18H,3,6-8H2,1-2H3
InChIKeyMTLAUOJMACRCDQ-UHFFFAOYSA-N
MW317.86 g/mol
LogP3.75
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine

3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 115477312) has the molecular formula C15H21ClFNOS and a molecular weight of 317.86 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
PubChem CID115477312
Molecular FormulaC15H21ClFNOS
Molecular Weight317.86 g/mol
Exact Mass317.10
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)c2ccc(F)c(Cl)c2)C1C
InChIInChI=1S/C15H21ClFNOS/c1-3-8-18-14-6-7-15(10(14)2)20(19)11-4-5-13(17)12(16)9-11/h4-5,9-10,14-15,18H,3,6-8H2,1-2H3
InChIKeyMTLAUOJMACRCDQ-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-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-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 115477286
3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 115477274
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905728
[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine
CID 115477506
5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866348
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine
CID 64651573
2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64674143
2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile
CID 115477472
1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396532
3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64910087
4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657308

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine (CID 115477312) is 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(S(=O)c2ccc(F)c(Cl)c2)C1C.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is MTLAUOJMACRCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNOS/c1-3-8-18-14-6-7-15(10(14)2)20(19)11-4-5-13(17)12(16)9-11/h4-5,9-10,14-15,18H,3,6-8H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine?
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 317.86 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 115477312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).