3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol

C10H22N2O3S — CID 114551588

IUPAC3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol
SMILESCC1CN(S(=O)(=O)CCCO)CC(C)N1C
InChIInChI=1S/C10H22N2O3S/c1-9-7-12(8-10(2)11(9)3)16(14,15)6-4-5-13/h9-10,13H,4-8H2,1-3H3
InChIKeyQDJUGVPPPLETOJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.28
Rot. Bonds4

About 3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol

3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol (PubChem CID 114551588) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol
PubChem CID114551588
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol
SMILESCC1CN(S(=O)(=O)CCCO)CC(C)N1C
InChIInChI=1S/C10H22N2O3S/c1-9-7-12(8-10(2)11(9)3)16(14,15)6-4-5-13/h9-10,13H,4-8H2,1-3H3
InChIKeyQDJUGVPPPLETOJ-UHFFFAOYSA-N
XLogP-0.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorobutylsulfonyl)-1,2,6-trimethylpiperazine
CID 114539403
4-ethylsulfonyl-1,2,6-trimethylpiperazine
CID 110662378
1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
CID 114537116
4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416
N-(3-aminopropyl)-N,3,4,5-tetramethylpiperazine-1-sulfonamide
CID 114545497
[1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol
CID 107858946
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
[(3S,4S)-1-(3-methoxypropylsulfonyl)-4-methylpyrrolidin-3-yl]methanol
CID 136581039
4-(2,6-dimethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43209518
[1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 114551752
1-(3-methylbutylsulfonyl)azetidin-3-ol
CID 63857866
(3S,4S)-4-methyl-1-pentylsulfonylpyrrolidine-3-carboxylic acid
CID 122103892

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol?
The IUPAC name of 3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol (CID 114551588) is 3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol.
What is the SMILES notation for 3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol?
The canonical SMILES for 3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol is CC1CN(S(=O)(=O)CCCO)CC(C)N1C.
What is the InChIKey of 3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol?
The InChIKey is QDJUGVPPPLETOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9-7-12(8-10(2)11(9)3)16(14,15)6-4-5-13/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol?
3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol has a molecular weight of 250.36 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropan-1-ol is sourced from PubChem (CID 114551588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).