3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide

C15H24N2O2S — CID 95984312

IUPAC3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
SMILESCSCC[C@@](C)(O)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-15(19,8-9-20-4)11-16-14(18)12-6-5-7-13(10-12)17(2)3/h5-7,10,19H,8-9,11H2,1-4H3,(H,16,18)/t15-/m1/s1
InChIKeyHAXKJNXDQQASRS-OAHLLOKOSA-N
MW296.44 g/mol
LogP1.99
Rot. Bonds7

About 3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide

3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide (PubChem CID 95984312) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
PubChem CID95984312
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
SMILESCSCC[C@@](C)(O)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-15(19,8-9-20-4)11-16-14(18)12-6-5-7-13(10-12)17(2)3/h5-7,10,19H,8-9,11H2,1-4H3,(H,16,18)/t15-/m1/s1
InChIKeyHAXKJNXDQQASRS-OAHLLOKOSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485472
3-chloro-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)benzamide
CID 71787281
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide
CID 103712720
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide
CID 95977014
2-chloro-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984298
3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide
CID 71989278
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(dimethylamino)benzamide
CID 71788754
3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485450
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 71787269
3-(dimethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390448
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide (CID 95984312) is 3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide is CSCC[C@@](C)(O)CNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide?
The InChIKey is HAXKJNXDQQASRS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(19,8-9-20-4)11-16-14(18)12-6-5-7-13(10-12)17(2)3/h5-7,10,19H,8-9,11H2,1-4H3,(H,16,18)/t15-/m1/s1.
What are the key properties of 3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide?
3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide has a molecular weight of 296.44 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide is sourced from PubChem (CID 95984312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).