1-naphthalen-2-ylsulfanylpentan-3-amine

C15H19NS — CID 153445073

IUPAC1-naphthalen-2-ylsulfanylpentan-3-amine
SMILESCCC(N)CCSc1ccc2ccccc2c1
InChIInChI=1S/C15H19NS/c1-2-14(16)9-10-17-15-8-7-12-5-3-4-6-13(12)11-15/h3-8,11,14H,2,9-10,16H2,1H3
InChIKeySSSLCCQKICDQEJ-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.06
Rot. Bonds5

About 1-naphthalen-2-ylsulfanylpentan-3-amine

1-naphthalen-2-ylsulfanylpentan-3-amine (PubChem CID 153445073) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfanylpentan-3-amine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfanylpentan-3-amine
PubChem CID153445073
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-naphthalen-2-ylsulfanylpentan-3-amine
SMILESCCC(N)CCSc1ccc2ccccc2c1
InChIInChI=1S/C15H19NS/c1-2-14(16)9-10-17-15-8-7-12-5-3-4-6-13(12)11-15/h3-8,11,14H,2,9-10,16H2,1H3
InChIKeySSSLCCQKICDQEJ-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-naphthalen-2-ylsulfanylhexan-3-amine
CID 106808319
2-amino-3-naphthalen-2-ylsulfanylpropan-1-ol
CID 64807456
6-(3,4-dimethylphenyl)sulfanylhexan-3-amine
CID 106808280
2-(2-bromoethylsulfanyl)naphthalene
CID 43519120
formic acid;2-propylsulfanylnaphthalene
CID 143073136
2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile
CID 63053903
N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine
CID 64648285
(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
1-phenylsulfanylbutan-2-amine
CID 24973194
2-(4-chlorobutylsulfanyl)naphthalene
CID 63501641
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
2,2-dimethyl-6-naphthalen-2-ylsulfanylhexan-1-amine
CID 106713307

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfanylpentan-3-amine?
The IUPAC name of 1-naphthalen-2-ylsulfanylpentan-3-amine (CID 153445073) is 1-naphthalen-2-ylsulfanylpentan-3-amine.
What is the SMILES notation for 1-naphthalen-2-ylsulfanylpentan-3-amine?
The canonical SMILES for 1-naphthalen-2-ylsulfanylpentan-3-amine is CCC(N)CCSc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylsulfanylpentan-3-amine?
The InChIKey is SSSLCCQKICDQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-14(16)9-10-17-15-8-7-12-5-3-4-6-13(12)11-15/h3-8,11,14H,2,9-10,16H2,1H3.
What are the key properties of 1-naphthalen-2-ylsulfanylpentan-3-amine?
1-naphthalen-2-ylsulfanylpentan-3-amine has a molecular weight of 245.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfanylpentan-3-amine is sourced from PubChem (CID 153445073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).