2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine

C14H22ClNS — CID 103291071

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)SCc1ccccc1Cl
InChIInChI=1S/C14H22ClNS/c1-4-14(16-5-2)11(3)17-10-12-8-6-7-9-13(12)15/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyXIIRQTURYRAPOA-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.35
Rot. Bonds7

About 2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine

2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine (PubChem CID 103291071) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine
PubChem CID103291071
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)SCc1ccccc1Cl
InChIInChI=1S/C14H22ClNS/c1-4-14(16-5-2)11(3)17-10-12-8-6-7-9-13(12)15/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyXIIRQTURYRAPOA-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methylsulfanyl]-N-propylbutan-2-amine
CID 103291090
methyl 3-[(2-chlorophenyl)methylsulfanyl]-2-methylbutanoate
CID 103287985
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine
CID 103290221
3-[(2-chlorophenyl)methylsulfanyl]butanenitrile
CID 103288480
methyl 2-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 78842701
1-(2-chlorophenyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311717
1-[4-bromo-2-[(2-chlorophenyl)methylsulfanyl]phenyl]-N-ethylethanamine
CID 103288726
1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
CID 107511567
3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62914731
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-ethoxypropyl)propan-1-amine
CID 103289869
2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybutanimidamide
CID 103288540

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine (CID 103291071) is 2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine is CCNC(CC)C(C)SCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine?
The InChIKey is XIIRQTURYRAPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-4-14(16-5-2)11(3)17-10-12-8-6-7-9-13(12)15/h6-9,11,14,16H,4-5,10H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine?
2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine has a molecular weight of 271.86 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-ethylpentan-3-amine is sourced from PubChem (CID 103291071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).