N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide

C9H19NO2S — CID 121481111

IUPACN-[4-(1-methylcyclopropyl)butyl]methanesulfonamide
SMILESCC1(CCCCNS(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-9(6-7-9)5-3-4-8-10-13(2,11)12/h10H,3-8H2,1-2H3
InChIKeyJMZRENLOZKRAEQ-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.51
Rot. Bonds6

About N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide

N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide (PubChem CID 121481111) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-methylcyclopropyl)butyl]methanesulfonamide
PubChem CID121481111
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-[4-(1-methylcyclopropyl)butyl]methanesulfonamide
SMILESCC1(CCCCNS(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-9(6-7-9)5-3-4-8-10-13(2,11)12/h10H,3-8H2,1-2H3
InChIKeyJMZRENLOZKRAEQ-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide?
The IUPAC name of N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide (CID 121481111) is N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide?
The canonical SMILES for N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide is CC1(CCCCNS(C)(=O)=O)CC1.
What is the InChIKey of N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide?
The InChIKey is JMZRENLOZKRAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(6-7-9)5-3-4-8-10-13(2,11)12/h10H,3-8H2,1-2H3.
What are the key properties of N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide?
N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylcyclopropyl)butyl]methanesulfonamide is sourced from PubChem (CID 121481111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).