1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine

C10H20N2O4S2 — CID 79994454

IUPAC1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H20N2O4S2/c1-8-4-9(11)6-12(5-8)18(15,16)10-2-3-17(13,14)7-10/h8-10H,2-7,11H2,1H3
InChIKeyIJJSGYZHSKIDBA-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.83
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine

1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine (PubChem CID 79994454) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine
PubChem CID79994454
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H20N2O4S2/c1-8-4-9(11)6-12(5-8)18(15,16)10-2-3-17(13,14)7-10/h8-10H,2-7,11H2,1H3
InChIKeyIJJSGYZHSKIDBA-UHFFFAOYSA-N
XLogP-0.83
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934912
1-[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63597100
(3S)-1,1-dioxothiolane-3-sulfonate
CID 7088081
3-[(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)sulfonyl]thiolane 1,1-dioxide
CID 43598019
3-amino-5-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816194
5-methyl-1-prop-2-enylsulfonylpiperidin-3-amine
CID 79993272
methyl (3S)-1-(1,1-dioxothiolan-3-yl)sulfonylpiperidine-3-carboxylate
CID 115536276
1-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742382
1-cyclopentylsulfonylazetidin-3-amine
CID 105361409
3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]thiolane 1,1-dioxide
CID 648922
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
3,5-dimethylpiperidine-1-sulfonamide
CID 43132027

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine (CID 79994454) is 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine is CC1CC(N)CN(S(=O)(=O)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine?
The InChIKey is IJJSGYZHSKIDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c1-8-4-9(11)6-12(5-8)18(15,16)10-2-3-17(13,14)7-10/h8-10H,2-7,11H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine?
1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine has a molecular weight of 296.41 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)sulfonyl-5-methylpiperidin-3-amine is sourced from PubChem (CID 79994454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).