2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide

C10H22N2O3S — CID 102786308

IUPAC2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C10H22N2O3S/c1-8(2)6-11-16(14,15)12-5-4-9(3)10(12)7-13/h8-11,13H,4-7H2,1-3H3
InChIKeyCXEDESJCCQAEEH-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.18
Rot. Bonds5

About 2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide

2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide (PubChem CID 102786308) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
PubChem CID102786308
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C10H22N2O3S/c1-8(2)6-11-16(14,15)12-5-4-9(3)10(12)7-13/h8-11,13H,4-7H2,1-3H3
InChIKeyCXEDESJCCQAEEH-UHFFFAOYSA-N
XLogP0.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 71911371
(2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide
CID 97239252
2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 113736414
2-(Dipropylsulfamoylamino)-1-hydroxy-4-methylpentane
CID 61246970
N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 61247377
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide
CID 61247379
2-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
CID 61408971
[1-(4-Methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409018
[1-(3,5-Dimethylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409024
N-butyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61409068
[1-(3-Methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409154
N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 61409291

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide (CID 102786308) is 2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide is CC(C)CNS(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The InChIKey is CXEDESJCCQAEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-8(2)6-11-16(14,15)12-5-4-9(3)10(12)7-13/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 102786308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).