1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine

C12H24N2O4S2 — CID 62083891

IUPAC1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C12H24N2O4S2/c1-13-9-11-3-2-6-14(10-11)20(17,18)12-4-7-19(15,16)8-5-12/h11-13H,2-10H2,1H3
InChIKeyQCBHPIWUKMKGLT-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.18
Rot. Bonds4

About 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine

1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 62083891) has the molecular formula C12H24N2O4S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
PubChem CID62083891
Molecular FormulaC12H24N2O4S2
Molecular Weight324.47 g/mol
Exact Mass324.12
IUPAC Name1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C12H24N2O4S2/c1-13-9-11-3-2-6-14(10-11)20(17,18)12-4-7-19(15,16)8-5-12/h11-13H,2-10H2,1H3
InChIKeyQCBHPIWUKMKGLT-UHFFFAOYSA-N
XLogP-0.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
4-[3-(chloromethyl)piperidin-1-yl]sulfonylthiane 1,1-dioxide
CID 63397522
[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62085839
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 94347275
1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 55032348
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
4-[3-(2-bromoethyl)pyrrolidin-1-yl]sulfonylthiane 1,1-dioxide
CID 114801782
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 81126357
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
CID 61132450

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine (CID 62083891) is 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is QCBHPIWUKMKGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S2/c1-13-9-11-3-2-6-14(10-11)20(17,18)12-4-7-19(15,16)8-5-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 324.47 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62083891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).