N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide

C9H20N2O3S — CID 104538446

IUPACN-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C9H20N2O3S/c1-9(2,3)10-15(13,14)11-6-4-5-8(11)7-12/h8,10,12H,4-7H2,1-3H3
InChIKeyGQECKCICJWQRJD-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.08
Rot. Bonds3

About N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide

N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide (PubChem CID 104538446) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
PubChem CID104538446
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C9H20N2O3S/c1-9(2,3)10-15(13,14)11-6-4-5-8(11)7-12/h8,10,12H,4-7H2,1-3H3
InChIKeyGQECKCICJWQRJD-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide
CID 114813122
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115754042
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
[(2R)-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 66261990
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014558
N-tert-butyl-3-(hydroxymethyl)azetidine-1-sulfonamide
CID 114809658
[1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409018
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
[1-(3-methylbutylsulfonyl)pyrrolidin-2-yl]methanol
CID 63856789

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide (CID 104538446) is N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide is CC(C)(C)NS(=O)(=O)N1CCCC1CO.
What is the InChIKey of N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The InChIKey is GQECKCICJWQRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(2,3)10-15(13,14)11-6-4-5-8(11)7-12/h8,10,12H,4-7H2,1-3H3.
What are the key properties of N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 104538446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).