1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine

C18H25NS — CID 64648095

IUPAC1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CSc1ccc2ccccc2c1
InChIInChI=1S/C18H25NS/c1-3-7-17(19-12-4-2)14-20-18-11-10-15-8-5-6-9-16(15)13-18/h5-6,8-11,13,17,19H,3-4,7,12,14H2,1-2H3
InChIKeyCTVXTSDPLCCWDW-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.10
Rot. Bonds8

About 1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine

1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine (PubChem CID 64648095) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
PubChem CID64648095
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
SMILESCCCNC(CCC)CSc1ccc2ccccc2c1
InChIInChI=1S/C18H25NS/c1-3-7-17(19-12-4-2)14-20-18-11-10-15-8-5-6-9-16(15)13-18/h5-6,8-11,13,17,19H,3-4,7,12,14H2,1-2H3
InChIKeyCTVXTSDPLCCWDW-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine
CID 64648859
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
CID 64648659
3-phenylsulfanyl-2-(propylamino)propan-1-ol
CID 64819067
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 83160735
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine
CID 66146019
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66055714
4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine?
The IUPAC name of 1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine (CID 64648095) is 1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine?
The canonical SMILES for 1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine is CCCNC(CCC)CSc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine?
The InChIKey is CTVXTSDPLCCWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-3-7-17(19-12-4-2)14-20-18-11-10-15-8-5-6-9-16(15)13-18/h5-6,8-11,13,17,19H,3-4,7,12,14H2,1-2H3.
What are the key properties of 1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine?
1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine has a molecular weight of 287.47 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine is sourced from PubChem (CID 64648095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).