4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide

C9H20N4O2S — CID 19360764

IUPAC4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C9H20N4O2S/c1-11(2)16(14,15)13-5-3-12(4-6-13)9-7-10-8-9/h9-10H,3-8H2,1-2H3
InChIKeyCDKOTNGQHUDPBM-UHFFFAOYSA-N
MW248.35 g/mol
LogP-1.62
Rot. Bonds3

About 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide

4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 19360764) has the molecular formula C9H20N4O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID19360764
Molecular FormulaC9H20N4O2S
Molecular Weight248.35 g/mol
Exact Mass248.13
IUPAC Name4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C9H20N4O2S/c1-11(2)16(14,15)13-5-3-12(4-6-13)9-7-10-8-9/h9-10H,3-8H2,1-2H3
InChIKeyCDKOTNGQHUDPBM-UHFFFAOYSA-N
XLogP-1.62
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide (CID 19360764) is 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C2CNC2)CC1.
What is the InChIKey of 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is CDKOTNGQHUDPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2S/c1-11(2)16(14,15)13-5-3-12(4-6-13)9-7-10-8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of -1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 19360764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).