N-(1-tert-butylazetidin-3-yl)ethanesulfonamide

C9H20N2O2S — CID 129035133

IUPACN-(1-tert-butylazetidin-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C9H20N2O2S/c1-5-14(12,13)10-8-6-11(7-8)9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyRWHYNLMQNXDIRM-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds3

About N-(1-tert-butylazetidin-3-yl)ethanesulfonamide

N-(1-tert-butylazetidin-3-yl)ethanesulfonamide (PubChem CID 129035133) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(1-tert-butylazetidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-tert-butylazetidin-3-yl)ethanesulfonamide
PubChem CID129035133
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-(1-tert-butylazetidin-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C9H20N2O2S/c1-5-14(12,13)10-8-6-11(7-8)9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyRWHYNLMQNXDIRM-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylazetidin-3-yl)ethanesulfonamide?
The IUPAC name of N-(1-tert-butylazetidin-3-yl)ethanesulfonamide (CID 129035133) is N-(1-tert-butylazetidin-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-tert-butylazetidin-3-yl)ethanesulfonamide?
The canonical SMILES for N-(1-tert-butylazetidin-3-yl)ethanesulfonamide is CCS(=O)(=O)NC1CN(C(C)(C)C)C1.
What is the InChIKey of N-(1-tert-butylazetidin-3-yl)ethanesulfonamide?
The InChIKey is RWHYNLMQNXDIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-5-14(12,13)10-8-6-11(7-8)9(2,3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of N-(1-tert-butylazetidin-3-yl)ethanesulfonamide?
N-(1-tert-butylazetidin-3-yl)ethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylazetidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 129035133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).