N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide

C13H18N2OS — CID 43401901

IUPACN-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
SMILESCSc1ccc(CNCC(=O)NC2CC2)cc1
InChIInChI=1S/C13H18N2OS/c1-17-12-6-2-10(3-7-12)8-14-9-13(16)15-11-4-5-11/h2-3,6-7,11,14H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyZRMILZRMVKJBNX-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.78
Rot. Bonds6

About N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide

N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide (PubChem CID 43401901) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
PubChem CID43401901
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
SMILESCSc1ccc(CNCC(=O)NC2CC2)cc1
InChIInChI=1S/C13H18N2OS/c1-17-12-6-2-10(3-7-12)8-14-9-13(16)15-11-4-5-11/h2-3,6-7,11,14H,4-5,8-9H2,1H3,(H,15,16)
InChIKeyZRMILZRMVKJBNX-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(4-iodophenyl)methylamino]acetamide
CID 65477363
N-cyclopropyl-2-[(3,4-dimethylphenyl)methylamino]acetamide
CID 43434265
N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
CID 47124680
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
4-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532484
2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099192
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464
2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide
CID 103581537
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
3-[[[2-(cyclopropylamino)-2-oxoethyl]amino]methyl]benzoic acid
CID 103239145

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide (CID 43401901) is N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide is CSc1ccc(CNCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide?
The InChIKey is ZRMILZRMVKJBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-17-12-6-2-10(3-7-12)8-14-9-13(16)15-11-4-5-11/h2-3,6-7,11,14H,4-5,8-9H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide?
N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide has a molecular weight of 250.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide is sourced from PubChem (CID 43401901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).