[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine

C12H24N2O4S2 — CID 114960902

IUPAC[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1CN
InChIInChI=1S/C12H24N2O4S2/c1-10-2-5-14(9-11(10)8-13)20(17,18)12-3-6-19(15,16)7-4-12/h10-12H,2-9,13H2,1H3
InChIKeyHNAZQOJKGCTHPC-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.19
Rot. Bonds3

About [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine

[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine (PubChem CID 114960902) has the molecular formula C12H24N2O4S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
PubChem CID114960902
Molecular FormulaC12H24N2O4S2
Molecular Weight324.47 g/mol
Exact Mass324.12
IUPAC Name[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1CN
InChIInChI=1S/C12H24N2O4S2/c1-10-2-5-14(9-11(10)8-13)20(17,18)12-3-6-19(15,16)7-4-12/h10-12H,2-9,13H2,1H3
InChIKeyHNAZQOJKGCTHPC-UHFFFAOYSA-N
XLogP-0.19
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N,4-dimethylpiperidine-1-sulfonamide
CID 114960837
[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960821
1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030464
1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 55032348
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-ol
CID 94347275
4-[3-(2-bromoethyl)pyrrolidin-1-yl]sulfonylthiane 1,1-dioxide
CID 114801782
[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506096
[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]methanol
CID 62086020
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 62083891
3-[4-(1,1-dioxothian-4-yl)sulfonylpiperazin-1-yl]propan-1-amine
CID 62083513

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine (CID 114960902) is [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine is CC1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1CN.
What is the InChIKey of [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The InChIKey is HNAZQOJKGCTHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S2/c1-10-2-5-14(9-11(10)8-13)20(17,18)12-3-6-19(15,16)7-4-12/h10-12H,2-9,13H2,1H3.
What are the key properties of [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
[1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine has a molecular weight of 324.47 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothian-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).