3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine

C14H22ClNS — CID 64634700

IUPAC3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)Sc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNS/c1-4-7-13(16-3)14(5-2)17-12-9-6-8-11(15)10-12/h6,8-10,13-14,16H,4-5,7H2,1-3H3
InChIKeyAIDJRGOEMZJQEQ-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.60
Rot. Bonds7

About 3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine

3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine (PubChem CID 64634700) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine
PubChem CID64634700
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)Sc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNS/c1-4-7-13(16-3)14(5-2)17-12-9-6-8-11(15)10-12/h6,8-10,13-14,16H,4-5,7H2,1-3H3
InChIKeyAIDJRGOEMZJQEQ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine
CID 64632327
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520
N-methyl-3-(4-methylsulfonylphenyl)sulfanylheptan-4-amine
CID 64628354
3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine
CID 64619681
3-(3-chlorophenyl)sulfanylpentan-1-amine
CID 62645784
1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
CID 66147051
3-(3-chlorophenyl)sulfonyl-N-methylheptan-4-amine
CID 64674433
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
N-[2-(3-chlorophenyl)sulfanylpropyl]pentan-3-amine
CID 63516794
N-methyl-3-pyrimidin-4-ylsulfanylheptan-4-amine
CID 64626049
3-(1H-imidazol-2-ylsulfanyl)-N-methylheptan-4-amine
CID 107783819
1-(3-chlorophenyl)sulfanyl-3-methylhexan-2-amine
CID 107896590

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine (CID 64634700) is 3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine is CCCC(NC)C(CC)Sc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine?
The InChIKey is AIDJRGOEMZJQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-4-7-13(16-3)14(5-2)17-12-9-6-8-11(15)10-12/h6,8-10,13-14,16H,4-5,7H2,1-3H3.
What are the key properties of 3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine?
3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine has a molecular weight of 271.86 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine is sourced from PubChem (CID 64634700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).