N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide

C8H18N2O3S — CID 114809658

IUPACN-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CC(CO)C1
InChIInChI=1S/C8H18N2O3S/c1-8(2,3)9-14(12,13)10-4-7(5-10)6-11/h7,9,11H,4-6H2,1-3H3
InChIKeyIPSFAVNHRJZUAQ-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.46
Rot. Bonds3

About N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide

N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide (PubChem CID 114809658) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide
PubChem CID114809658
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CC(CO)C1
InChIInChI=1S/C8H18N2O3S/c1-8(2,3)9-14(12,13)10-4-7(5-10)6-11/h7,9,11H,4-6H2,1-3H3
InChIKeyIPSFAVNHRJZUAQ-UHFFFAOYSA-N
XLogP-0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-[3-(hydroxymethyl)azetidin-1-yl]sulfonylcarbamate
CID 114464288
N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 104538446
N-tert-butyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
CID 114809879
N-tert-butyl-3-ethyl-3-hydroxyazetidine-1-sulfonamide
CID 114809610
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
[1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol
CID 75510156
2-(tert-butylsulfamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 114806398
methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62370432
1-(tert-butylsulfamoyl)piperidine-3-carboximidamide
CID 114813519
5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-2,4-dimethylbenzoic acid
CID 107215896
4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide
CID 107160206
2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol
CID 114799312

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide (CID 114809658) is N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide is CC(C)(C)NS(=O)(=O)N1CC(CO)C1.
What is the InChIKey of N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide?
The InChIKey is IPSFAVNHRJZUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8(2,3)9-14(12,13)10-4-7(5-10)6-11/h7,9,11H,4-6H2,1-3H3.
What are the key properties of N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide?
N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide is sourced from PubChem (CID 114809658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).