6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine

C11H18N4O4S2 — CID 82840203

IUPAC6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine
SMILESCS(=O)(=O)CS(=O)(=O)N1CCN(c2ccc(N)cn2)CC1
InChIInChI=1S/C11H18N4O4S2/c1-20(16,17)9-21(18,19)15-6-4-14(5-7-15)11-3-2-10(12)8-13-11/h2-3,8H,4-7,9,12H2,1H3
InChIKeyPTAVYUBJGBBNKF-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.88
Rot. Bonds4

About 6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine

6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 82840203) has the molecular formula C11H18N4O4S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine
PubChem CID82840203
Molecular FormulaC11H18N4O4S2
Molecular Weight334.42 g/mol
Exact Mass334.08
IUPAC Name6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine
SMILESCS(=O)(=O)CS(=O)(=O)N1CCN(c2ccc(N)cn2)CC1
InChIInChI=1S/C11H18N4O4S2/c1-20(16,17)9-21(18,19)15-6-4-14(5-7-15)11-3-2-10(12)8-13-11/h2-3,8H,4-7,9,12H2,1H3
InChIKeyPTAVYUBJGBBNKF-UHFFFAOYSA-N
XLogP-0.88
TPSA113.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-cyclopropylsulfonylpiperazin-1-yl)pyridin-3-amine
CID 64554066
1-(5-amino-2-pyridinyl)piperidin-4-one
CID 58431724
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
6-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 60870402
2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 64662975
4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide
CID 79159197
ethyl 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]acetate
CID 43462036
1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine
CID 146149427
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
CID 43461986
6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161657

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine (CID 82840203) is 6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine is CS(=O)(=O)CS(=O)(=O)N1CCN(c2ccc(N)cn2)CC1.
What is the InChIKey of 6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is PTAVYUBJGBBNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S2/c1-20(16,17)9-21(18,19)15-6-4-14(5-7-15)11-3-2-10(12)8-13-11/h2-3,8H,4-7,9,12H2,1H3.
What are the key properties of 6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine?
6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 334.42 g/mol, XLogP of -0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 82840203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).