N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide

C16H33NO2S — CID 70799427

IUPACN-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide
SMILESCC(C)(C)N(CCCCC1(C(C)(C)C)CC1)S(C)(=O)=O
InChIInChI=1S/C16H33NO2S/c1-14(2,3)16(11-12-16)10-8-9-13-17(15(4,5)6)20(7,18)19/h8-13H2,1-7H3
InChIKeyDWOCJPVBHLSWOV-UHFFFAOYSA-N
MW303.51 g/mol
LogP4.04
Rot. Bonds6

About N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide

N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide (PubChem CID 70799427) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide
PubChem CID70799427
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC NameN-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide
SMILESCC(C)(C)N(CCCCC1(C(C)(C)C)CC1)S(C)(=O)=O
InChIInChI=1S/C16H33NO2S/c1-14(2,3)16(11-12-16)10-8-9-13-17(15(4,5)6)20(7,18)19/h8-13H2,1-7H3
InChIKeyDWOCJPVBHLSWOV-UHFFFAOYSA-N
XLogP4.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide (CID 70799427) is N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide is CC(C)(C)N(CCCCC1(C(C)(C)C)CC1)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide?
The InChIKey is DWOCJPVBHLSWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-14(2,3)16(11-12-16)10-8-9-13-17(15(4,5)6)20(7,18)19/h8-13H2,1-7H3.
What are the key properties of N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide?
N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide has a molecular weight of 303.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[4-(1-tert-butylcyclopropyl)butyl]methanesulfonamide is sourced from PubChem (CID 70799427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).