N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide

C12H21NOS — CID 112666864

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCSCC(C)N(C)C(=O)C1CC2CC2C1
InChIInChI=1S/C12H21NOS/c1-8(7-15-3)13(2)12(14)11-5-9-4-10(9)6-11/h8-11H,4-7H2,1-3H3
InChIKeyZXFHDRJAUAEQLG-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.24
Rot. Bonds4

About N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 112666864) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID112666864
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCSCC(C)N(C)C(=O)C1CC2CC2C1
InChIInChI=1S/C12H21NOS/c1-8(7-15-3)13(2)12(14)11-5-9-4-10(9)6-11/h8-11H,4-7H2,1-3H3
InChIKeyZXFHDRJAUAEQLG-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
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(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 104914638
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
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N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 112548115
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
N-methyl-N-(1-methylsulfanylpropan-2-yl)morpholine-4-carboxamide
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N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 112659434
N-(2-bromoethyl)-N-methylbicyclo[3.1.0]hexane-3-carboxamide
CID 80659050
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide (CID 112666864) is N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide is CSCC(C)N(C)C(=O)C1CC2CC2C1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is ZXFHDRJAUAEQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-8(7-15-3)13(2)12(14)11-5-9-4-10(9)6-11/h8-11H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 227.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 112666864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).