2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol

C13H23N3O3S — CID 63631193

IUPAC2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCn1ccc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c1
InChIInChI=1S/C13H23N3O3S/c1-13(2,17)11-15-6-8-16(9-7-15)20(18,19)12-4-5-14(3)10-12/h4-5,10,17H,6-9,11H2,1-3H3
InChIKeyBZMUNGVAWUHHIT-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.10
Rot. Bonds4

About 2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol

2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 63631193) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID63631193
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCn1ccc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c1
InChIInChI=1S/C13H23N3O3S/c1-13(2,17)11-15-6-8-16(9-7-15)20(18,19)12-4-5-14(3)10-12/h4-5,10,17H,6-9,11H2,1-3H3
InChIKeyBZMUNGVAWUHHIT-UHFFFAOYSA-N
XLogP0.10
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 126770684
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide
CID 30704709
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 63237331
N-(cyclopropylmethyl)-1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-amine
CID 115307191
[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 51983158
1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 103100214
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847354
3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149089
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847332
1-(2,2-dimethylpropyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 110290792
(3aR,7aS)-2-(1-methylpyrrol-3-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43598589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol (CID 63631193) is 2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol is Cn1ccc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c1.
What is the InChIKey of 2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is BZMUNGVAWUHHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-13(2,17)11-15-6-8-16(9-7-15)20(18,19)12-4-5-14(3)10-12/h4-5,10,17H,6-9,11H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol?
2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 301.41 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 63631193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).