6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine

C15H24ClNOS — CID 106807888

IUPAC6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNOS/c1-3-11-17-14(4-2)6-5-12-19(18)15-9-7-13(16)8-10-15/h7-10,14,17H,3-6,11-12H2,1-2H3
InChIKeyNJGVLSBODBNRHL-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.01
Rot. Bonds9

About 6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine

6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine (PubChem CID 106807888) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
PubChem CID106807888
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNOS/c1-3-11-17-14(4-2)6-5-12-19(18)15-9-7-13(16)8-10-15/h7-10,14,17H,3-6,11-12H2,1-2H3
InChIKeyNJGVLSBODBNRHL-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64660006
6-(3-methylphenyl)sulfinyl-N-propylhexan-3-amine
CID 106808022
6-(3,4-dichlorophenyl)sulfinyl-N-ethylhexan-3-amine
CID 106808043
1-[(4-chlorophenyl)methylsulfinyl]-N-propylbutan-2-amine
CID 114792213
2-(4-chlorophenyl)sulfinyl-N-methylethanamine
CID 64659807
6-benzylsulfinyl-N-propylhexan-3-amine
CID 106807937
5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine
CID 64657988
1-[(4-chlorophenyl)methylsulfinyl]-N-propylpentan-2-amine
CID 114792258
3-(4-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64658249
6-(4-chlorophenyl)sulfinylhexan-2-amine
CID 64659612
5-(4-nitrophenyl)sulfinyl-N-propylpentan-2-amine
CID 64651446
3-(4-chlorophenyl)sulfinylpropan-1-amine
CID 58684884

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine?
The IUPAC name of 6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine (CID 106807888) is 6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine is CCCNC(CC)CCCS(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine?
The InChIKey is NJGVLSBODBNRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-3-11-17-14(4-2)6-5-12-19(18)15-9-7-13(16)8-10-15/h7-10,14,17H,3-6,11-12H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine?
6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine has a molecular weight of 301.88 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine is sourced from PubChem (CID 106807888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).