2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride

C15H23ClN2OS — CID 119769599

IUPAC2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride
SMILESCSCCc1ccc(NC(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-19-9-8-12-4-6-14(7-5-12)17-15(18)11-16-10-13-2-3-13;/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18);1H
InChIKeyANNHIWOKQUBMQP-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.95
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride (PubChem CID 119769599) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride
PubChem CID119769599
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride
SMILESCSCCc1ccc(NC(=O)CNCC2CC2)cc1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-19-9-8-12-4-6-14(7-5-12)17-15(18)11-16-10-13-2-3-13;/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18);1H
InChIKeyANNHIWOKQUBMQP-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119711546
2-(cyclopropylmethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
CID 119860951
2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride
CID 119701886
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
CID 119723609
2-(cyclopropylmethylamino)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669315
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride (CID 119769599) is 2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride is CSCCc1ccc(NC(=O)CNCC2CC2)cc1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride?
The InChIKey is ANNHIWOKQUBMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-19-9-8-12-4-6-14(7-5-12)17-15(18)11-16-10-13-2-3-13;/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119769599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).