N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide

C8H17NO2S — CID 58913427

IUPACN-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide
SMILESCC(C)C1CC1CNS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-6(2)8-4-7(8)5-9-12(3,10)11/h6-9H,4-5H2,1-3H3
InChIKeyKLGQNIPPNFKUDL-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.83
Rot. Bonds4

About N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide

N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide (PubChem CID 58913427) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide
PubChem CID58913427
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide
SMILESCC(C)C1CC1CNS(C)(=O)=O
InChIInChI=1S/C8H17NO2S/c1-6(2)8-4-7(8)5-9-12(3,10)11/h6-9H,4-5H2,1-3H3
InChIKeyKLGQNIPPNFKUDL-UHFFFAOYSA-N
XLogP0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide (CID 58913427) is N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide is CC(C)C1CC1CNS(C)(=O)=O.
What is the InChIKey of N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide?
The InChIKey is KLGQNIPPNFKUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(2)8-4-7(8)5-9-12(3,10)11/h6-9H,4-5H2,1-3H3.
What are the key properties of N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide?
N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-ylcyclopropyl)methyl]methanesulfonamide is sourced from PubChem (CID 58913427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).