N-butyl-1-methylcyclopropane-1-sulfonamide

C8H17NO2S — CID 141326922

IUPACN-butyl-1-methylcyclopropane-1-sulfonamide
SMILESCCCCNS(=O)(=O)C1(C)CC1
InChIInChI=1S/C8H17NO2S/c1-3-4-7-9-12(10,11)8(2)5-6-8/h9H,3-7H2,1-2H3
InChIKeyRUMHSQKRNJEBRV-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.26
Rot. Bonds5

About N-butyl-1-methylcyclopropane-1-sulfonamide

N-butyl-1-methylcyclopropane-1-sulfonamide (PubChem CID 141326922) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-butyl-1-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-1-methylcyclopropane-1-sulfonamide
PubChem CID141326922
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-butyl-1-methylcyclopropane-1-sulfonamide
SMILESCCCCNS(=O)(=O)C1(C)CC1
InChIInChI=1S/C8H17NO2S/c1-3-4-7-9-12(10,11)8(2)5-6-8/h9H,3-7H2,1-2H3
InChIKeyRUMHSQKRNJEBRV-UHFFFAOYSA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.26
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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Related Compounds

N-cyclopropyl-2-methylpropane-2-sulfonamide
CID 57911016
1-(Aminomethyl)cyclopropane-1-sulfonamide
CID 126841176
N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide
CID 155136383
N-Butyl-1-butanesulfonamide
CID 305460
2-methyl-N-(3-methylbutyl)propane-2-sulfonamide
CID 20657897
2-methyl-N-(2-methylpropyl)propane-2-sulfonamide
CID 21051522
Ethyl-tert-butyl-sulfonamide
CID 21703069
2-methyl-N-propylpropane-2-sulfonamide
CID 22364465
N-butylcyclopropanesulfonamide
CID 22499354
N-isopentylcyclopropanesulfonamide
CID 49715025
N-butyl-2-methylpropane-2-sulfonamide
CID 54213068
N-(2,2-dimethylpropyl)-2-methylpropane-2-sulfonamide
CID 57698846

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methylcyclopropane-1-sulfonamide?
The IUPAC name of N-butyl-1-methylcyclopropane-1-sulfonamide (CID 141326922) is N-butyl-1-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-butyl-1-methylcyclopropane-1-sulfonamide?
The canonical SMILES for N-butyl-1-methylcyclopropane-1-sulfonamide is CCCCNS(=O)(=O)C1(C)CC1.
What is the InChIKey of N-butyl-1-methylcyclopropane-1-sulfonamide?
The InChIKey is RUMHSQKRNJEBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-4-7-9-12(10,11)8(2)5-6-8/h9H,3-7H2,1-2H3.
What are the key properties of N-butyl-1-methylcyclopropane-1-sulfonamide?
N-butyl-1-methylcyclopropane-1-sulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 141326922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).