3-(3-chlorophenyl)sulfanylpentan-1-amine

C11H16ClNS — CID 62645784

IUPAC3-(3-chlorophenyl)sulfanylpentan-1-amine
SMILESCCC(CCN)Sc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNS/c1-2-10(6-7-13)14-11-5-3-4-9(12)8-11/h3-5,8,10H,2,6-7,13H2,1H3
InChIKeySXJXNAQWAMGORU-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.56
Rot. Bonds5

About 3-(3-chlorophenyl)sulfanylpentan-1-amine

3-(3-chlorophenyl)sulfanylpentan-1-amine (PubChem CID 62645784) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanylpentan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanylpentan-1-amine
PubChem CID62645784
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name3-(3-chlorophenyl)sulfanylpentan-1-amine
SMILESCCC(CCN)Sc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNS/c1-2-10(6-7-13)14-11-5-3-4-9(12)8-11/h3-5,8,10H,2,6-7,13H2,1H3
InChIKeySXJXNAQWAMGORU-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)sulfanylpentan-1-amine
CID 43530332
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine
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3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine
CID 64632327
2-amino-2-(3-chlorophenyl)sulfanylethanol
CID 117034655
N-[2-(3-chlorophenyl)sulfanylpropyl]pentan-3-amine
CID 63516794
1-[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866298
2-(3-chlorophenyl)sulfanyl-2-(5-methylfuran-2-yl)ethanamine
CID 55101462
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172
3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine
CID 63238314
2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine
CID 66146188

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanylpentan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfanylpentan-1-amine (CID 62645784) is 3-(3-chlorophenyl)sulfanylpentan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanylpentan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfanylpentan-1-amine is CCC(CCN)Sc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanylpentan-1-amine?
The InChIKey is SXJXNAQWAMGORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-2-10(6-7-13)14-11-5-3-4-9(12)8-11/h3-5,8,10H,2,6-7,13H2,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfanylpentan-1-amine?
3-(3-chlorophenyl)sulfanylpentan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanylpentan-1-amine is sourced from PubChem (CID 62645784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).