[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine

C11H23N3O4S2 — CID 80506096

IUPAC[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C(CN)C1
InChIInChI=1S/C11H23N3O4S2/c1-13-4-5-14(10(8-12)9-13)20(17,18)11-2-6-19(15,16)7-3-11/h10-11H,2-9,12H2,1H3
InChIKeyUZQKILGIXHVKTJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP-1.53
Rot. Bonds3

About [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine

[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine (PubChem CID 80506096) has the molecular formula C11H23N3O4S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine
PubChem CID80506096
Molecular FormulaC11H23N3O4S2
Molecular Weight325.46 g/mol
Exact Mass325.11
IUPAC Name[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C(CN)C1
InChIInChI=1S/C11H23N3O4S2/c1-13-4-5-14(10(8-12)9-13)20(17,18)11-2-6-19(15,16)7-3-11/h10-11H,2-9,12H2,1H3
InChIKeyUZQKILGIXHVKTJ-UHFFFAOYSA-N
XLogP-1.53
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine
CID 80505945
(4-methyl-1-piperidin-1-ylsulfonylpiperazin-2-yl)methanamine
CID 80506150
[1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine
CID 80504636
[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960902
2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114811162
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 63255342
(4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine
CID 80505797
[4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine
CID 80506021
(1-cyclopentylsulfonyl-4-ethylpiperidin-2-yl)methanamine
CID 103352691
[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine
CID 80506146
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80506970
(1-cyclohexylsulfonylpyrrolidin-2-yl)methanamine
CID 63765247

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine (CID 80506096) is [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine is CN1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C(CN)C1.
What is the InChIKey of [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine?
The InChIKey is UZQKILGIXHVKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S2/c1-13-4-5-14(10(8-12)9-13)20(17,18)11-2-6-19(15,16)7-3-11/h10-11H,2-9,12H2,1H3.
What are the key properties of [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine?
[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine has a molecular weight of 325.46 g/mol, XLogP of -1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80506096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).