1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine

C15H25NS — CID 62693417

IUPAC1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CCCc1ccccc1)CSC
InChIInChI=1S/C15H25NS/c1-3-12-16-15(13-17-2)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3
InChIKeyLPJGUTCRMFCLKS-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.74
Rot. Bonds9

About 1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine

1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine (PubChem CID 62693417) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
PubChem CID62693417
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CCCc1ccccc1)CSC
InChIInChI=1S/C15H25NS/c1-3-12-16-15(13-17-2)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3
InChIKeyLPJGUTCRMFCLKS-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
1-methylsulfanyl-N-(4-phenylbutyl)butan-2-amine
CID 114333568
5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105139780
N'-(6-phenylhexan-3-yl)ethane-1,2-diamine
CID 71061994
N-(2-phenylethyl)octan-4-amine
CID 11128217
6-phenyl-N-propylhexan-2-amine
CID 61485022
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445
1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
CID 116662072
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine?
The IUPAC name of 1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine (CID 62693417) is 1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine?
The canonical SMILES for 1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine is CCCNC(CCCc1ccccc1)CSC.
What is the InChIKey of 1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine?
The InChIKey is LPJGUTCRMFCLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-12-16-15(13-17-2)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3.
What are the key properties of 1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine?
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine is sourced from PubChem (CID 62693417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).