3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide

C10H22N2O3S — CID 114815712

IUPAC3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide
SMILESCCCC1(O)CN(S(=O)(=O)NCC(C)C)C1
InChIInChI=1S/C10H22N2O3S/c1-4-5-10(13)7-12(8-10)16(14,15)11-6-9(2)3/h9,11,13H,4-8H2,1-3H3
InChIKeyRILKBIMTPQXSIR-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.32
Rot. Bonds6

About 3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide

3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide (PubChem CID 114815712) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide
PubChem CID114815712
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide
SMILESCCCC1(O)CN(S(=O)(=O)NCC(C)C)C1
InChIInChI=1S/C10H22N2O3S/c1-4-5-10(13)7-12(8-10)16(14,15)11-6-9(2)3/h9,11,13H,4-8H2,1-3H3
InChIKeyRILKBIMTPQXSIR-UHFFFAOYSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-propyl-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
CID 114809623
N,N-diethyl-3-hydroxy-3-propylazetidine-1-sulfonamide
CID 65928956
1-(3-Methylpiperidin-1-yl)sulfonyl-3-propylazetidin-3-ol
CID 65930191
3-hydroxy-N,N,3-tripropylazetidine-1-sulfonamide
CID 65930211
1-(3,5-Dimethylpiperidin-1-yl)sulfonyl-3-propylazetidin-3-ol
CID 65930627
3-hydroxy-N-methyl-N-propan-2-yl-3-propylazetidine-1-sulfonamide
CID 65930831
3-cyclopropyl-3-hydroxy-N,N-dipropylazetidine-1-sulfonamide
CID 65934349
N-butyl-3-cyclopropyl-3-hydroxy-N-methylazetidine-1-sulfonamide
CID 65935554
3-cyclopropyl-3-hydroxy-N,N-dimethylazetidine-1-sulfonamide
CID 65937157
3-cyclopropyl-N,N-diethyl-3-hydroxyazetidine-1-sulfonamide
CID 65937352
N-butyl-3-hydroxy-N-methyl-3-propylazetidine-1-sulfonamide
CID 65942674
3-hydroxy-N,N-dimethyl-3-propylazetidine-1-sulfonamide
CID 65942878

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide (CID 114815712) is 3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide is CCCC1(O)CN(S(=O)(=O)NCC(C)C)C1.
What is the InChIKey of 3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide?
The InChIKey is RILKBIMTPQXSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-5-10(13)7-12(8-10)16(14,15)11-6-9(2)3/h9,11,13H,4-8H2,1-3H3.
What are the key properties of 3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide?
3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-methylpropyl)-3-propylazetidine-1-sulfonamide is sourced from PubChem (CID 114815712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).