5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine

C16H23Cl2NOS — CID 79866348

IUPAC5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)c2ccc(Cl)c(Cl)c2)CCC1(C)C
InChIInChI=1S/C16H23Cl2NOS/c1-4-9-19-15-14(7-8-16(15,2)3)21(20)11-5-6-12(17)13(18)10-11/h5-6,10,14-15,19H,4,7-9H2,1-3H3
InChIKeyWPDAJGHXSPJSDC-UHFFFAOYSA-N
MW348.34 g/mol
LogP4.66
Rot. Bonds5

About 5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine

5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 79866348) has the molecular formula C16H23Cl2NOS and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID79866348
Molecular FormulaC16H23Cl2NOS
Molecular Weight348.34 g/mol
Exact Mass347.09
IUPAC Name5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(S(=O)c2ccc(Cl)c(Cl)c2)CCC1(C)C
InChIInChI=1S/C16H23Cl2NOS/c1-4-9-19-15-14(7-8-16(15,2)3)21(20)11-5-6-12(17)13(18)10-11/h5-6,10,14-15,19H,4,7-9H2,1-3H3
InChIKeyWPDAJGHXSPJSDC-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862922
5-(2-methoxyphenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866209
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine
CID 79847405
5-(3-chloro-4-fluorophenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 115477293
2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 115477286
2-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64660130
2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide
CID 114232022
2,2-dimethyl-5-(2-methylsulfonylethylsulfinyl)-N-propylcyclopentan-1-amine
CID 79863242
3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 115477274
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 114792164

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 79866348) is 5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(S(=O)c2ccc(Cl)c(Cl)c2)CCC1(C)C.
What is the InChIKey of 5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is WPDAJGHXSPJSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NOS/c1-4-9-19-15-14(7-8-16(15,2)3)21(20)11-5-6-12(17)13(18)10-11/h5-6,10,14-15,19H,4,7-9H2,1-3H3.
What are the key properties of 5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 348.34 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79866348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).