[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol

C9H20N2O3S — CID 102778572

IUPAC[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)CCCN)C1CO
InChIInChI=1S/C9H20N2O3S/c1-8-3-5-11(9(8)7-12)15(13,14)6-2-4-10/h8-9,12H,2-7,10H2,1H3
InChIKeySQRVDGJBJOGHEG-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.63
Rot. Bonds5

About [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol

[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102778572) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102778572
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)CCCN)C1CO
InChIInChI=1S/C9H20N2O3S/c1-8-3-5-11(9(8)7-12)15(13,14)6-2-4-10/h8-9,12H,2-7,10H2,1H3
InChIKeySQRVDGJBJOGHEG-UHFFFAOYSA-N
XLogP-0.63
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol
CID 102782218
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786449
[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102782226
[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
CID 164648332
1-butylsulfonyl-2-(chloromethyl)-3-methylpyrrolidine
CID 102788521
2-(2,3-dimethylpyrrolidin-1-yl)sulfonylethanamine
CID 130964385
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534
[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786318
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylpropanoic acid
CID 102778344
6-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]hexan-1-one
CID 102780522
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479
[3-methyl-1-(1,2-oxazol-3-ylmethylsulfonyl)pyrrolidin-2-yl]methanol
CID 154789710

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol (CID 102778572) is [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(S(=O)(=O)CCCN)C1CO.
What is the InChIKey of [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is SQRVDGJBJOGHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8-3-5-11(9(8)7-12)15(13,14)6-2-4-10/h8-9,12H,2-7,10H2,1H3.
What are the key properties of [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 236.34 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102778572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).