5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine

C12H18ClNS — CID 64622059

IUPAC5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine
SMILESCNC(C)CCCSc1ccccc1Cl
InChIInChI=1S/C12H18ClNS/c1-10(14-2)6-5-9-15-12-8-4-3-7-11(12)13/h3-4,7-8,10,14H,5-6,9H2,1-2H3
InChIKeyWHMOZBKSSVIAFG-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.82
Rot. Bonds6

About 5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine

5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine (PubChem CID 64622059) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine
PubChem CID64622059
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine
SMILESCNC(C)CCCSc1ccccc1Cl
InChIInChI=1S/C12H18ClNS/c1-10(14-2)6-5-9-15-12-8-4-3-7-11(12)13/h3-4,7-8,10,14H,5-6,9H2,1-2H3
InChIKeyWHMOZBKSSVIAFG-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.82
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

5-(2,5-dichlorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64620648
N-[2-(2-chlorophenyl)sulfanylethyl]-4-methylpentan-1-amine
CID 63516114
4-(2-chlorophenyl)sulfanyl-2-(methylamino)butanenitrile
CID 63054761
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine
CID 64620891
methyl 4-(2-chlorophenyl)sulfanylbutanoate
CID 43378296
N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine
CID 64648285
N-[2-(2-chlorophenyl)sulfanylethyl]butan-1-amine
CID 62583171
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414
[1-(2-chlorophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105237772
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
4-(2-chlorophenyl)sulfanylbutanoyl chloride
CID 82041889

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine?
The IUPAC name of 5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine (CID 64622059) is 5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine is CNC(C)CCCSc1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine?
The InChIKey is WHMOZBKSSVIAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-10(14-2)6-5-9-15-12-8-4-3-7-11(12)13/h3-4,7-8,10,14H,5-6,9H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine?
5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine has a molecular weight of 243.80 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine is sourced from PubChem (CID 64622059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).