[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol

C12H25N3O3S — CID 102782226

IUPAC[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)CCN2CCNCC2)C1CO
InChIInChI=1S/C12H25N3O3S/c1-11-2-5-15(12(11)10-16)19(17,18)9-8-14-6-3-13-4-7-14/h11-13,16H,2-10H2,1H3
InChIKeyBKTCWTFUMVNMNI-UHFFFAOYSA-N
MW291.42 g/mol
LogP-1.08
Rot. Bonds5

About [3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 102782226) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is [3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID102782226
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)CCN2CCNCC2)C1CO
InChIInChI=1S/C12H25N3O3S/c1-11-2-5-15(12(11)10-16)19(17,18)9-8-14-6-3-13-4-7-14/h11-13,16H,2-10H2,1H3
InChIKeyBKTCWTFUMVNMNI-UHFFFAOYSA-N
XLogP-1.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
CID 54972040
[1-(3-aminopropylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102778572
[3-methyl-1-[2-(methylamino)ethylsulfonyl]pyrrolidin-2-yl]methanol
CID 102782218
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786449
3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine
CID 54972478
[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
CID 164648332
5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol
CID 66054078
N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine
CID 62887804
1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol
CID 106670197
N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine
CID 63542029
1-(2-piperazin-1-ylethylsulfonyl)azepane
CID 54974083
2-piperazin-1-ylethanesulfonamide
CID 54595802

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol (CID 102782226) is [3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol is CC1CCN(S(=O)(=O)CCN2CCNCC2)C1CO.
What is the InChIKey of [3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is BKTCWTFUMVNMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-11-2-5-15(12(11)10-16)19(17,18)9-8-14-6-3-13-4-7-14/h11-13,16H,2-10H2,1H3.
What are the key properties of [3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 291.42 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102782226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).