N-butyl-1-cyclopropylmethanesulfonamide

C8H17NO2S — CID 141326902

IUPACN-butyl-1-cyclopropylmethanesulfonamide
SMILESCCCCNS(=O)(=O)CC1CC1
InChIInChI=1S/C8H17NO2S/c1-2-3-6-9-12(10,11)7-8-4-5-8/h8-9H,2-7H2,1H3
InChIKeyRDEKCOCPPKCGRE-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.12
Rot. Bonds6

About N-butyl-1-cyclopropylmethanesulfonamide

N-butyl-1-cyclopropylmethanesulfonamide (PubChem CID 141326902) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-butyl-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-butyl-1-cyclopropylmethanesulfonamide
PubChem CID141326902
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-butyl-1-cyclopropylmethanesulfonamide
SMILESCCCCNS(=O)(=O)CC1CC1
InChIInChI=1S/C8H17NO2S/c1-2-3-6-9-12(10,11)7-8-4-5-8/h8-9H,2-7H2,1H3
InChIKeyRDEKCOCPPKCGRE-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.12
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-butyl-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-butyl-1-cyclopropylmethanesulfonamide (CID 141326902) is N-butyl-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-butyl-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-butyl-1-cyclopropylmethanesulfonamide is CCCCNS(=O)(=O)CC1CC1.
What is the InChIKey of N-butyl-1-cyclopropylmethanesulfonamide?
The InChIKey is RDEKCOCPPKCGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-3-6-9-12(10,11)7-8-4-5-8/h8-9H,2-7H2,1H3.
What are the key properties of N-butyl-1-cyclopropylmethanesulfonamide?
N-butyl-1-cyclopropylmethanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 141326902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).