N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide

C13H27NO2S — CID 70799705

IUPACN-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide
SMILESCC(C)(C)C1CC1CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C13H27NO2S/c1-12(2,3)11-8-10(11)9-14(13(4,5)6)17(7,15)16/h10-11H,8-9H2,1-7H3
InChIKeyHVDUQDMNXGGNGK-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.73
Rot. Bonds3

About N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide

N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide (PubChem CID 70799705) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide
PubChem CID70799705
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide
SMILESCC(C)(C)C1CC1CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C13H27NO2S/c1-12(2,3)11-8-10(11)9-14(13(4,5)6)17(7,15)16/h10-11H,8-9H2,1-7H3
InChIKeyHVDUQDMNXGGNGK-UHFFFAOYSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.73
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-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide (CID 70799705) is N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide is CC(C)(C)C1CC1CN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide?
The InChIKey is HVDUQDMNXGGNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-12(2,3)11-8-10(11)9-14(13(4,5)6)17(7,15)16/h10-11H,8-9H2,1-7H3.
What are the key properties of N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide?
N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide has a molecular weight of 261.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide is sourced from PubChem (CID 70799705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).