2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride

C13H19ClN2OS — CID 119694268

IUPAC2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
SMILESCSc1ccc(NC(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-17-12-6-4-11(5-7-12)15-13(16)9-14-8-10-2-3-10;/h4-7,10,14H,2-3,8-9H2,1H3,(H,15,16);1H
InChIKeyNWWJGGNZFBXXGR-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.77
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride (PubChem CID 119694268) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
PubChem CID119694268
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
SMILESCSc1ccc(NC(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-17-12-6-4-11(5-7-12)15-13(16)9-14-8-10-2-3-10;/h4-7,10,14H,2-3,8-9H2,1H3,(H,15,16);1H
InChIKeyNWWJGGNZFBXXGR-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119694259
2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride
CID 119769599
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 119699001

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride (CID 119694268) is 2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride is CSc1ccc(NC(=O)CNCC2CC2)cc1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride?
The InChIKey is NWWJGGNZFBXXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c1-17-12-6-4-11(5-7-12)15-13(16)9-14-8-10-2-3-10;/h4-7,10,14H,2-3,8-9H2,1H3,(H,15,16);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119694268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).