N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide

C15H21NO2S — CID 110006894

IUPACN-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
SMILESCN(CC1CC1)C(=O)CSCc1ccc(CO)cc1
InChIInChI=1S/C15H21NO2S/c1-16(8-12-2-3-12)15(18)11-19-10-14-6-4-13(9-17)5-7-14/h4-7,12,17H,2-3,8-11H2,1H3
InChIKeyIXFZDZKZAPPDLY-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.28
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide

N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide (PubChem CID 110006894) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
PubChem CID110006894
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
SMILESCN(CC1CC1)C(=O)CSCc1ccc(CO)cc1
InChIInChI=1S/C15H21NO2S/c1-16(8-12-2-3-12)15(18)11-19-10-14-6-4-13(9-17)5-7-14/h4-7,12,17H,2-3,8-11H2,1H3
InChIKeyIXFZDZKZAPPDLY-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 83518576
[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methanol
CID 112631198
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide
CID 112792018
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
CID 83518674
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methylacetamide
CID 111536939
4-[3-[cyclopropylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119181808
[4-(cyclopentylmethylsulfanylmethyl)phenyl]methanol
CID 112630936
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]ethanone
CID 110006974
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 50874829
2-[(4-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide
CID 55739513
N-acetyl-2-benzylsulfanyl-N-methylacetamide
CID 20540314
5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47263424

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide (CID 110006894) is N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide is CN(CC1CC1)C(=O)CSCc1ccc(CO)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide?
The InChIKey is IXFZDZKZAPPDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-16(8-12-2-3-12)15(18)11-19-10-14-6-4-13(9-17)5-7-14/h4-7,12,17H,2-3,8-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide?
N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide has a molecular weight of 279.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 110006894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).