3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol

C14H17NOS — CID 64898105

IUPAC3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol
SMILESCC(N)C(CO)Sc1ccc2ccccc2c1
InChIInChI=1S/C14H17NOS/c1-10(15)14(9-16)17-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14,16H,9,15H2,1H3
InChIKeyGGCRGCXNKKBNPO-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.64
Rot. Bonds4

About 3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol

3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol (PubChem CID 64898105) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol
PubChem CID64898105
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol
SMILESCC(N)C(CO)Sc1ccc2ccccc2c1
InChIInChI=1S/C14H17NOS/c1-10(15)14(9-16)17-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14,16H,9,15H2,1H3
InChIKeyGGCRGCXNKKBNPO-UHFFFAOYSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-methylphenyl)sulfanylbutan-1-ol
CID 64899617
3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol
CID 64899184
2-amino-3-naphthalen-2-ylsulfanylpropan-1-ol
CID 64807456
2-(1-fluoroethylsulfanyl)naphthalene
CID 139914119
3-amino-4-methyl-2-phenylsulfanylpentan-1-ol
CID 114369992
3-amino-2-(4-methoxyphenyl)sulfanyl-4-methylpentan-1-ol
CID 114370119
2-naphthalen-2-ylsulfanylpropanal
CID 165440090
ethyl 2-hydroxy-2-naphthalen-2-ylsulfanylacetate
CID 71387535
(2S)-N-carbamoyl-2-naphthalen-2-ylsulfanylpropanamide
CID 2500778
(2S)-2-amino-4-naphthalen-2-ylsulfanylpentanedioic acid
CID 54439780
1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine
CID 63819331
2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
CID 43411864

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol?
The IUPAC name of 3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol (CID 64898105) is 3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol is CC(N)C(CO)Sc1ccc2ccccc2c1.
What is the InChIKey of 3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol?
The InChIKey is GGCRGCXNKKBNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10(15)14(9-16)17-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14,16H,9,15H2,1H3.
What are the key properties of 3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol?
3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-naphthalen-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 64898105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).