N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide

C13H27NO2S — CID 156532116

IUPACN-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1CC(C(C)(C)C)C1
InChIInChI=1S/C13H27NO2S/c1-10(2)6-7-17(15,16)14-12-8-11(9-12)13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeySQQWSMQVGXGYHR-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.78
Rot. Bonds5

About N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide

N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide (PubChem CID 156532116) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide
PubChem CID156532116
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1CC(C(C)(C)C)C1
InChIInChI=1S/C13H27NO2S/c1-10(2)6-7-17(15,16)14-12-8-11(9-12)13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeySQQWSMQVGXGYHR-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide (CID 156532116) is N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC1CC(C(C)(C)C)C1.
What is the InChIKey of N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide?
The InChIKey is SQQWSMQVGXGYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-10(2)6-7-17(15,16)14-12-8-11(9-12)13(3,4)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide?
N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide has a molecular weight of 261.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylcyclobutyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 156532116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).