2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile

C14H26N4O2S — CID 63340968

IUPAC2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile
SMILESCC1CCCN(S(=O)(=O)N2CCN(C(C)(C)C#N)CC2)C1
InChIInChI=1S/C14H26N4O2S/c1-13-5-4-6-18(11-13)21(19,20)17-9-7-16(8-10-17)14(2,3)12-15/h13H,4-11H2,1-3H3
InChIKeyYYCQPXVNTVKXMH-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.88
Rot. Bonds3

About 2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile

2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile (PubChem CID 63340968) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile
PubChem CID63340968
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile
SMILESCC1CCCN(S(=O)(=O)N2CCN(C(C)(C)C#N)CC2)C1
InChIInChI=1S/C14H26N4O2S/c1-13-5-4-6-18(11-13)21(19,20)17-9-7-16(8-10-17)14(2,3)12-15/h13H,4-11H2,1-3H3
InChIKeyYYCQPXVNTVKXMH-UHFFFAOYSA-N
XLogP0.88
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine
CID 104975049
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
2-methyl-2-[4-(oxan-4-ylsulfonyl)piperazin-1-yl]propanenitrile
CID 63341138
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile
CID 35324791
1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 97260419
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 94806388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile (CID 63340968) is 2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile is CC1CCCN(S(=O)(=O)N2CCN(C(C)(C)C#N)CC2)C1.
What is the InChIKey of 2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile?
The InChIKey is YYCQPXVNTVKXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-13-5-4-6-18(11-13)21(19,20)17-9-7-16(8-10-17)14(2,3)12-15/h13H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile?
2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile has a molecular weight of 314.46 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]propanenitrile is sourced from PubChem (CID 63340968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).