2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide

C9H20N2O3S — CID 102786050

IUPAC2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C9H20N2O3S/c1-3-5-10-15(13,14)11-6-4-8(2)9(11)7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyJCOJPLVXJCAGFQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.07
Rot. Bonds5

About 2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide

2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide (PubChem CID 102786050) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide
PubChem CID102786050
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C9H20N2O3S/c1-3-5-10-15(13,14)11-6-4-8(2)9(11)7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyJCOJPLVXJCAGFQ-UHFFFAOYSA-N
XLogP-0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.07
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-propylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide (CID 102786050) is 2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide is CCCNS(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide?
The InChIKey is JCOJPLVXJCAGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-5-10-15(13,14)11-6-4-8(2)9(11)7-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide?
2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.07, 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-propylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 102786050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).