azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride

C11H25ClN4O5S2 — CID 157319157

IUPACazetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CN(CC2CCOC2)C1.NS(=O)(=O)C1CNC1
InChIInChI=1S/C8H16N2O3S.C3H8N2O2S.ClH/c9-14(11,12)8-4-10(5-8)3-7-1-2-13-6-7;4-8(6,7)3-1-5-2-3;/h7-8H,1-6H2,(H2,9,11,12);3,5H,1-2H2,(H2,4,6,7);1H
InChIKeyPTSXRUCBOOXTSJ-UHFFFAOYSA-N
MW392.93 g/mol
LogP-2.34
Rot. Bonds4

About azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride

azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride (PubChem CID 157319157) has the molecular formula C11H25ClN4O5S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Nameazetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride
PubChem CID157319157
Molecular FormulaC11H25ClN4O5S2
Molecular Weight392.93 g/mol
Exact Mass392.10
IUPAC Nameazetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)C1CN(CC2CCOC2)C1.NS(=O)(=O)C1CNC1
InChIInChI=1S/C8H16N2O3S.C3H8N2O2S.ClH/c9-14(11,12)8-4-10(5-8)3-7-1-2-13-6-7;4-8(6,7)3-1-5-2-3;/h7-8H,1-6H2,(H2,9,11,12);3,5H,1-2H2,(H2,4,6,7);1H
InChIKeyPTSXRUCBOOXTSJ-UHFFFAOYSA-N
XLogP-2.34
TPSA144.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 5-2.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide
CID 137402497
azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide
CID 159346014
1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol
CID 130542390
6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
CID 62824558
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
(3aS,6aS)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850841
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide
CID 95141176
morpholin-2-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897545
(3aS,6aS)-1-(oxolan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 131160645
3-[2-(oxolan-3-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 120845703
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730
3-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119897543

Frequently Asked Questions

What is the IUPAC name of azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride?
The IUPAC name of azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride (CID 157319157) is azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride.
What is the SMILES notation for azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride?
The canonical SMILES for azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride is Cl.NS(=O)(=O)C1CN(CC2CCOC2)C1.NS(=O)(=O)C1CNC1.
What is the InChIKey of azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride?
The InChIKey is PTSXRUCBOOXTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S.C3H8N2O2S.ClH/c9-14(11,12)8-4-10(5-8)3-7-1-2-13-6-7;4-8(6,7)3-1-5-2-3;/h7-8H,1-6H2,(H2,9,11,12);3,5H,1-2H2,(H2,4,6,7);1H.
What are the key properties of azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride?
azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of -2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-3-sulfonamide;1-(oxolan-3-ylmethyl)azetidine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 157319157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).