1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine

C16H21NS — CID 64648859

IUPAC1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(C)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H21NS/c1-3-10-17-13(2)12-18-16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11,13,17H,3,10,12H2,1-2H3
InChIKeyPFZKMKDGEGPSJW-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.32
Rot. Bonds6

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

1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine (PubChem CID 64648859) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine
PubChem CID64648859
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(C)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H21NS/c1-3-10-17-13(2)12-18-16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11,13,17H,3,10,12H2,1-2H3
InChIKeyPFZKMKDGEGPSJW-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
CID 64648095
3-naphthalen-2-yl-N-propylbutan-2-amine
CID 66437220
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935
1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
CID 70684265
(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol
CID 101186685
2-[2-(bromomethyl)-3-methylbutyl]sulfanylnaphthalene
CID 65011948
2-methyl-3-naphthalen-2-ylsulfanylpropanoic acid
CID 43538170
2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 63413588
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
2-methoxy-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79616716
4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine
CID 64625894
2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol
CID 119091882

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine (CID 64648859) is 1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine is CCCNC(C)CSc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine?
The InChIKey is PFZKMKDGEGPSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-3-10-17-13(2)12-18-16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11,13,17H,3,10,12H2,1-2H3.
What are the key properties of 1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine?
1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine has a molecular weight of 259.42 g/mol, XLogP of 4.32, 6 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-propylpropan-2-amine is sourced from PubChem (CID 64648859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).