methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate

C10H19NO4S — CID 146442042

IUPACmethyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)N(C)C(C)(C)C)CC1
InChIInChI=1S/C10H19NO4S/c1-9(2,3)11(4)16(13,14)10(6-7-10)8(12)15-5/h6-7H2,1-5H3
InChIKeyIBBVEDHDGZGHAC-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.75
Rot. Bonds3

About methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate

methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate (PubChem CID 146442042) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate
PubChem CID146442042
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(S(=O)(=O)N(C)C(C)(C)C)CC1
InChIInChI=1S/C10H19NO4S/c1-9(2,3)11(4)16(13,14)10(6-7-10)8(12)15-5/h6-7H2,1-5H3
InChIKeyIBBVEDHDGZGHAC-UHFFFAOYSA-N
XLogP0.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl(n-tert-butyl-n-methylsulfamoyl)acetate
CID 21709104
Methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate
CID 146441803
Methyl 1-(dimethylsulfamoyl)cyclopropane-1-carboxylate
CID 146442156
Methyl 1-[tert-butyl(methyl)amino]sulfanylcyclopropane-1-carboxylate
CID 170101105
Methyl 4-[cyclopropyl(methyl)sulfamoyl]butanoate
CID 61460285
Methyl 4-[methyl(2-methylbutan-2-yl)sulfamoyl]butanoate
CID 63966614
Methyl 1-(tert-butylsulfamoyl)cyclopropane-1-carboxylate
CID 91756297

Frequently Asked Questions

What is the IUPAC name of methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate (CID 146442042) is methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate is COC(=O)C1(S(=O)(=O)N(C)C(C)(C)C)CC1.
What is the InChIKey of methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate?
The InChIKey is IBBVEDHDGZGHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-9(2,3)11(4)16(13,14)10(6-7-10)8(12)15-5/h6-7H2,1-5H3.
What are the key properties of methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate?
methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate has a molecular weight of 249.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[tert-butyl(methyl)sulfamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 146442042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).