3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide

C16H20N2O2S — CID 143924235

IUPAC3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide
SMILESCNc1cc(SCCC(=O)N(C)C)c(O)c2ccccc12
InChIInChI=1S/C16H20N2O2S/c1-17-13-10-14(21-9-8-15(19)18(2)3)16(20)12-7-5-4-6-11(12)13/h4-7,10,17,20H,8-9H2,1-3H3
InChIKeyFGVOBMSCGKFENA-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.16
Rot. Bonds5

About 3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide

3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide (PubChem CID 143924235) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide
PubChem CID143924235
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide
SMILESCNc1cc(SCCC(=O)N(C)C)c(O)c2ccccc12
InChIInChI=1S/C16H20N2O2S/c1-17-13-10-14(21-9-8-15(19)18(2)3)16(20)12-7-5-4-6-11(12)13/h4-7,10,17,20H,8-9H2,1-3H3
InChIKeyFGVOBMSCGKFENA-UHFFFAOYSA-N
XLogP3.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[1-hydroxy-4-(sulfanylamino)naphthalen-2-yl]sulfanylacetic acid
CID 90348656
3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 60962249
3-(2-amino-5-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 79147838
4-bromo-N-[4-hydroxy-3-(2-hydroxyethylsulfanyl)naphthalen-1-yl]benzenesulfonamide
CID 71548701
2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 1184112
3-[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]sulfanylpropanoic acid
CID 23556561
N,N-dimethyl-4-phenylsulfanylbutanamide
CID 13123143
2-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)acetic acid
CID 118477189
N-(3-ethylsulfanyl-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
CID 46908186
2-[3-(carboxymethylsulfanyl)-4-hydroxynaphthalen-1-yl]acetic acid
CID 90231632
N-(3-benzylsulfanyl-4-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 1297152
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 18731478

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide (CID 143924235) is 3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide is CNc1cc(SCCC(=O)N(C)C)c(O)c2ccccc12.
What is the InChIKey of 3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide?
The InChIKey is FGVOBMSCGKFENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-17-13-10-14(21-9-8-15(19)18(2)3)16(20)12-7-5-4-6-11(12)13/h4-7,10,17,20H,8-9H2,1-3H3.
What are the key properties of 3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide?
3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide has a molecular weight of 304.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-4-(methylamino)naphthalen-2-yl]sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 143924235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).