N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide

C9H20N2O4S2 — CID 72719110

IUPACN,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide
SMILESCC(C)CS(=O)(=O)C1CN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C9H20N2O4S2/c1-8(2)7-16(12,13)9-5-11(6-9)17(14,15)10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyJUXHNOYVIUVJBU-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.45
Rot. Bonds5

About N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide

N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide (PubChem CID 72719110) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide
PubChem CID72719110
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide
SMILESCC(C)CS(=O)(=O)C1CN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C9H20N2O4S2/c1-8(2)7-16(12,13)9-5-11(6-9)17(14,15)10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyJUXHNOYVIUVJBU-UHFFFAOYSA-N
XLogP-0.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide (CID 72719110) is N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide is CC(C)CS(=O)(=O)C1CN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide?
The InChIKey is JUXHNOYVIUVJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-8(2)7-16(12,13)9-5-11(6-9)17(14,15)10(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide?
N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylpropylsulfonyl)azetidine-1-sulfonamide is sourced from PubChem (CID 72719110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).