1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine

C15H24ClNOS — CID 114792258

IUPAC1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNOS/c1-3-5-15(17-10-4-2)12-19(18)11-13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyYJHMOFLTXODLCR-UHFFFAOYSA-N
MW301.88 g/mol
LogP3.76
Rot. Bonds9

About 1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine

1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine (PubChem CID 114792258) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine
PubChem CID114792258
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNOS/c1-3-5-15(17-10-4-2)12-19(18)11-13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyYJHMOFLTXODLCR-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methylsulfinyl]-N-propylbutan-2-amine
CID 114792213
N-propyl-1-propylsulfinylpentan-2-amine
CID 64650923
1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64660006
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
CID 106807888
ethyl 3-[(4-chlorophenyl)methylsulfinyl]-2-methylpropanoate
CID 114790866
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
3-[(4-chlorophenyl)methylsulfinyl]-2-methylpropanoic acid
CID 64914967
6-benzylsulfinyl-N-propylhexan-3-amine
CID 106807937
1-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652349
1-propan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64655390

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine (CID 114792258) is 1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine is CCCNC(CCC)CS(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine?
The InChIKey is YJHMOFLTXODLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-3-5-15(17-10-4-2)12-19(18)11-13-6-8-14(16)9-7-13/h6-9,15,17H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine?
1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine has a molecular weight of 301.88 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine is sourced from PubChem (CID 114792258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).