N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide

C8H15NO3S — CID 169030953

IUPACN-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C8H15NO3S/c1-6(2)13(11,12)8(4-5-8)7(10)9-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyKSIMVWGEGBGDMU-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.09
Rot. Bonds3

About N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide

N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide (PubChem CID 169030953) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide
PubChem CID169030953
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide
SMILESCNC(=O)C1(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C8H15NO3S/c1-6(2)13(11,12)8(4-5-8)7(10)9-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyKSIMVWGEGBGDMU-UHFFFAOYSA-N
XLogP0.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide (CID 169030953) is N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide is CNC(=O)C1(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide?
The InChIKey is KSIMVWGEGBGDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-6(2)13(11,12)8(4-5-8)7(10)9-3/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide?
N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide has a molecular weight of 205.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 169030953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).