N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide

C9H20N2O2S — CID 59879238

IUPACN-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide
SMILESCCN(C1CN(C(C)C)C1)S(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-5-11(14(4,12)13)9-6-10(7-9)8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyKUVLIHPESXOBPE-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.36
Rot. Bonds4

About N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide

N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide (PubChem CID 59879238) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide
PubChem CID59879238
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide
SMILESCCN(C1CN(C(C)C)C1)S(C)(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-5-11(14(4,12)13)9-6-10(7-9)8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyKUVLIHPESXOBPE-UHFFFAOYSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide (CID 59879238) is N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide is CCN(C1CN(C(C)C)C1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide?
The InChIKey is KUVLIHPESXOBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-5-11(14(4,12)13)9-6-10(7-9)8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide?
N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-propan-2-ylazetidin-3-yl)methanesulfonamide is sourced from PubChem (CID 59879238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).