5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine

C14H22ClNOS — CID 64657988

IUPAC5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNOS/c1-3-9-16-12(2)6-5-10-18(17)14-8-4-7-13(15)11-14/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3
InChIKeyWXNASDUBQNWUHE-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.62
Rot. Bonds8

About 5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine

5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine (PubChem CID 64657988) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine
PubChem CID64657988
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine
SMILESCCCNC(C)CCCS(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNOS/c1-3-9-16-12(2)6-5-10-18(17)14-8-4-7-13(15)11-14/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3
InChIKeyWXNASDUBQNWUHE-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine
CID 64660134
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-propylpentan-2-amine
CID 115479156
5-(4-nitrophenyl)sulfinyl-N-propylpentan-2-amine
CID 64651446
6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine
CID 106808022
6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
CID 106807888
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
6-(4-nitrophenyl)sulfinyl-N-propylhexan-2-amine
CID 64652461
5-(2-nitrophenyl)sulfinyl-N-propylpentan-2-amine
CID 64650795
2-(3-chlorophenyl)sulfinylethanamine
CID 62645966
4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64651165
4-(3-chlorophenyl)-N-propylpentan-2-amine
CID 64721439
1-(3-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658378

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine?
The IUPAC name of 5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine (CID 64657988) is 5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine is CCCNC(C)CCCS(=O)c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine?
The InChIKey is WXNASDUBQNWUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-3-9-16-12(2)6-5-10-18(17)14-8-4-7-13(15)11-14/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine?
5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine has a molecular weight of 287.86 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine is sourced from PubChem (CID 64657988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).