N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide

C15H31NO2S — CID 70799418

IUPACN-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide
SMILESCC(C)(C)N(CCCC1(C(C)(C)C)CC1)S(C)(=O)=O
InChIInChI=1S/C15H31NO2S/c1-13(2,3)15(10-11-15)9-8-12-16(14(4,5)6)19(7,17)18/h8-12H2,1-7H3
InChIKeyWDLXAPNREXVUAM-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.65
Rot. Bonds5

About N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide

N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide (PubChem CID 70799418) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide
PubChem CID70799418
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC NameN-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide
SMILESCC(C)(C)N(CCCC1(C(C)(C)C)CC1)S(C)(=O)=O
InChIInChI=1S/C15H31NO2S/c1-13(2,3)15(10-11-15)9-8-12-16(14(4,5)6)19(7,17)18/h8-12H2,1-7H3
InChIKeyWDLXAPNREXVUAM-UHFFFAOYSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide (CID 70799418) is N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide is CC(C)(C)N(CCCC1(C(C)(C)C)CC1)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide?
The InChIKey is WDLXAPNREXVUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-13(2,3)15(10-11-15)9-8-12-16(14(4,5)6)19(7,17)18/h8-12H2,1-7H3.
What are the key properties of N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide?
N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide has a molecular weight of 289.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[3-(1-tert-butylcyclopropyl)propyl]methanesulfonamide is sourced from PubChem (CID 70799418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).