[4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine

C11H23N3O3S — CID 80505945

IUPAC[4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine
SMILESCN1CCN(S(=O)(=O)C2CCOCC2)C(CN)C1
InChIInChI=1S/C11H23N3O3S/c1-13-4-5-14(10(8-12)9-13)18(15,16)11-2-6-17-7-3-11/h10-11H,2-9,12H2,1H3
InChIKeyNFJXRCSUKAIMIJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.93
Rot. Bonds3

About [4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine

[4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine (PubChem CID 80505945) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is [4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine
PubChem CID80505945
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name[4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine
SMILESCN1CCN(S(=O)(=O)C2CCOCC2)C(CN)C1
InChIInChI=1S/C11H23N3O3S/c1-13-4-5-14(10(8-12)9-13)18(15,16)11-2-6-17-7-3-11/h10-11H,2-9,12H2,1H3
InChIKeyNFJXRCSUKAIMIJ-UHFFFAOYSA-N
XLogP-0.93
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506096
(4-methyl-1-piperidin-1-ylsulfonylpiperazin-2-yl)methanamine
CID 80506150
2-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114811162
2-methyl-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 115312474
(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
(1-cyclohexylsulfonylpyrrolidin-2-yl)methanamine
CID 63765247
[1-(3-bromophenyl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506000
[1-(4-bromo-3-methylphenyl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506094
(4-methyl-1-phosphanylpiperazin-2-yl)methanamine
CID 142243069

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine (CID 80505945) is [4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine is CN1CCN(S(=O)(=O)C2CCOCC2)C(CN)C1.
What is the InChIKey of [4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine?
The InChIKey is NFJXRCSUKAIMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-13-4-5-14(10(8-12)9-13)18(15,16)11-2-6-17-7-3-11/h10-11H,2-9,12H2,1H3.
What are the key properties of [4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine?
[4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine has a molecular weight of 277.39 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(oxan-4-ylsulfonyl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80505945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).