6-(4-chlorophenyl)sulfinylhexan-2-amine

C12H18ClNOS — CID 64659612

IUPAC6-(4-chlorophenyl)sulfinylhexan-2-amine
SMILESCC(N)CCCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNOS/c1-10(14)4-2-3-9-16(15)12-7-5-11(13)6-8-12/h5-8,10H,2-4,9,14H2,1H3
InChIKeyBBYPQUWXYGBZGR-UHFFFAOYSA-N
MW259.80 g/mol
LogP2.97
Rot. Bonds6

About 6-(4-chlorophenyl)sulfinylhexan-2-amine

6-(4-chlorophenyl)sulfinylhexan-2-amine (PubChem CID 64659612) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfinylhexan-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfinylhexan-2-amine
PubChem CID64659612
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name6-(4-chlorophenyl)sulfinylhexan-2-amine
SMILESCC(N)CCCCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNOS/c1-10(14)4-2-3-9-16(15)12-7-5-11(13)6-8-12/h5-8,10H,2-4,9,14H2,1H3
InChIKeyBBYPQUWXYGBZGR-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
CID 64660268
5-(4-bromophenyl)sulfinylpentan-2-amine
CID 64653239
3-(4-chlorophenyl)sulfinylpropan-1-amine
CID 58684884
4-(4-propan-2-ylphenyl)sulfinylbutan-2-amine
CID 64659709
5-[(4-chlorophenyl)methylsulfinyl]pentan-2-amine
CID 114792170
6-(4-chlorophenyl)sulfinyl-2-(4-methylphenoxy)hexanoic acid
CID 23181817
6-(4-chlorophenyl)sulfinyl-N-propylhexan-3-amine
CID 106807888
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)pentan-2-amine
CID 113318461
2-(4-chlorophenyl)sulfinyl-N-methylethanamine
CID 64659807
ethyl 2-[4-[3-(4-chlorophenyl)sulfinylpropyl]phenyl]acetate
CID 14442081
6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine
CID 64660134
5-(2,4-difluorophenyl)sulfinylpentan-2-amine
CID 64652840

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfinylhexan-2-amine?
The IUPAC name of 6-(4-chlorophenyl)sulfinylhexan-2-amine (CID 64659612) is 6-(4-chlorophenyl)sulfinylhexan-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfinylhexan-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)sulfinylhexan-2-amine is CC(N)CCCCS(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)sulfinylhexan-2-amine?
The InChIKey is BBYPQUWXYGBZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-10(14)4-2-3-9-16(15)12-7-5-11(13)6-8-12/h5-8,10H,2-4,9,14H2,1H3.
What are the key properties of 6-(4-chlorophenyl)sulfinylhexan-2-amine?
6-(4-chlorophenyl)sulfinylhexan-2-amine has a molecular weight of 259.80 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfinylhexan-2-amine is sourced from PubChem (CID 64659612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).