N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide

C7H13NO2S — CID 131206795

IUPACN-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1(SC)CC1
InChIInChI=1S/C7H13NO2S/c1-8(10-2)6(9)7(11-3)4-5-7/h4-5H2,1-3H3
InChIKeyHTTZHVVSFGNZNQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.90
Rot. Bonds3

About N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide

N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide (PubChem CID 131206795) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide
PubChem CID131206795
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1(SC)CC1
InChIInChI=1S/C7H13NO2S/c1-8(10-2)6(9)7(11-3)4-5-7/h4-5H2,1-3H3
InChIKeyHTTZHVVSFGNZNQ-UHFFFAOYSA-N
XLogP0.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 65464735
1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 137408252
N-methoxy-N-methylbicyclo[2.2.2]octane-1-carboxamide
CID 130361058
1-methylsulfanylcyclopropane-1-carboxylic acid
CID 22102233
N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 15663618
4-amino-N-methoxy-N-methyloxane-4-carboxamide
CID 115294673
N-methoxy-N,3-dimethylazetidine-3-carboxamide
CID 130808649
N-methoxy-N,1-dimethylcycloprop-2-ene-1-carboxamide
CID 89246188
[1-[methoxy(methyl)carbamoyl]cyclobutyl]carbamic acid
CID 90237916
tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate
CID 58431089
1,3-dimethoxy-1,3-dimethylurea
CID 11159391
[4-[methoxy(methyl)carbamoyl]thian-4-yl]carbamic acid
CID 146192283

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide?
The IUPAC name of N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide (CID 131206795) is N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide is CON(C)C(=O)C1(SC)CC1.
What is the InChIKey of N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide?
The InChIKey is HTTZHVVSFGNZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-8(10-2)6(9)7(11-3)4-5-7/h4-5H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide?
N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide has a molecular weight of 175.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide is sourced from PubChem (CID 131206795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).