N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide

C9H19NO3S — CID 71248821

IUPACN-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide
SMILESCOCCCCS(=O)(=O)N(C)C1CC1
InChIInChI=1S/C9H19NO3S/c1-10(9-5-6-9)14(11,12)8-4-3-7-13-2/h9H,3-8H2,1-2H3
InChIKeyCFESHLAPPDJAGP-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds7

About N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide

N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide (PubChem CID 71248821) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide
PubChem CID71248821
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide
SMILESCOCCCCS(=O)(=O)N(C)C1CC1
InChIInChI=1S/C9H19NO3S/c1-10(9-5-6-9)14(11,12)8-4-3-7-13-2/h9H,3-8H2,1-2H3
InChIKeyCFESHLAPPDJAGP-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Propane-1-sulfonic acid 2-[cyclopropyl-(propane-1-sulfonyl)-amino]ethyl ester
CID 59547799
N-methyl-N-(oxan-4-yl)cyclopropanesulfonamide
CID 70819457
N-cyclopropyl-5-methoxy-N-methylpentane-1-sulfonamide
CID 71248840
N-ethyl-4-methoxy-N-methylbutane-1-sulfonamide
CID 89402741
N-ethyl-2-methoxy-N-propylethanesulfonamide
CID 123769076
N-methyl-N-propan-2-yloxolane-3-sulfonamide
CID 131084597
2-methoxy-N-methyl-N-propan-2-ylethanesulfonamide
CID 164831486
N-(3-butoxypropyl)-N-methylpropane-2-sulfonamide
CID 167136356
N-(2-cyanoethyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
CID 55208605
N-cyclopropyl-N-(2-methoxyethyl)propane-2-sulfonamide
CID 61354708
N-cyclopropyl-N-(2-methoxyethyl)ethanesulfonamide
CID 61354871
N-cyclopropyl-N-(2-methoxyethyl)propane-1-sulfonamide
CID 61384168

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide (CID 71248821) is N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide is COCCCCS(=O)(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide?
The InChIKey is CFESHLAPPDJAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-10(9-5-6-9)14(11,12)8-4-3-7-13-2/h9H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide?
N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 71248821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).