N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide

C15H21NO2S — CID 103681545

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide
SMILESCSCC(C)(O)CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H21NO2S/c1-15(18,10-19-2)9-16-14(17)13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13,18H,8-10H2,1-2H3,(H,16,17)
InChIKeyMOQDHXOJOHPXDK-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.02
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 103681545) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID103681545
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide
SMILESCSCC(C)(O)CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H21NO2S/c1-15(18,10-19-2)9-16-14(17)13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13,18H,8-10H2,1-2H3,(H,16,17)
InChIKeyMOQDHXOJOHPXDK-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106244731
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249836
N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
CID 107261035
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid
CID 97234095
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106247663

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide (CID 103681545) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide is CSCC(C)(O)CNC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is MOQDHXOJOHPXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(18,10-19-2)9-16-14(17)13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13,18H,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 279.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 103681545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).