1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide

C15H22N4O4S2 — CID 6549822

IUPAC1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide
SMILESCN1[C@@H](C(=O)N2CCC(C(N)=O)CC2)C[C@@H](c2cccs2)NS1(=O)=O
InChIInChI=1S/C15H22N4O4S2/c1-18-12(15(21)19-6-4-10(5-7-19)14(16)20)9-11(17-25(18,22)23)13-3-2-8-24-13/h2-3,8,10-12,17H,4-7,9H2,1H3,(H2,16,20)/t11-,12+/m0/s1
InChIKeySBJLTVISVYMSQY-NWDGAFQWSA-N
MW386.50 g/mol
LogP0.05
Rot. Bonds3

About 1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide

1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide (PubChem CID 6549822) has the molecular formula C15H22N4O4S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide
PubChem CID6549822
Molecular FormulaC15H22N4O4S2
Molecular Weight386.50 g/mol
Exact Mass386.11
IUPAC Name1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide
SMILESCN1[C@@H](C(=O)N2CCC(C(N)=O)CC2)C[C@@H](c2cccs2)NS1(=O)=O
InChIInChI=1S/C15H22N4O4S2/c1-18-12(15(21)19-6-4-10(5-7-19)14(16)20)9-11(17-25(18,22)23)13-3-2-8-24-13/h2-3,8,10-12,17H,4-7,9H2,1H3,(H2,16,20)/t11-,12+/m0/s1
InChIKeySBJLTVISVYMSQY-NWDGAFQWSA-N
XLogP0.05
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-N-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 16670767
N-(4-fluorophenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide;methane
CID 158538913
(3R,5S)-N-(3-hydroxyphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 16670760
(3R,5S)-N-[4-(1-hydroxyethyl)phenyl]-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 16670763
(3S,5S)-N-(2,4-difluorophenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 100576098
(3S,5R)-2-methyl-1,1-dioxo-5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2,6-thiadiazinane-3-carboxamide
CID 135316602
methane;2-methyl-1,1-dioxo-5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2,6-thiadiazinane-3-carboxamide
CID 159461225
[(3R,5S)-5-(3-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 95196534
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 51163837
(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681285
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R,5S)-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinan-3-yl]methanone
CID 16670992

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide (CID 6549822) is 1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide is CN1[C@@H](C(=O)N2CCC(C(N)=O)CC2)C[C@@H](c2cccs2)NS1(=O)=O.
What is the InChIKey of 1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is SBJLTVISVYMSQY-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H22N4O4S2/c1-18-12(15(21)19-6-4-10(5-7-19)14(16)20)9-11(17-25(18,22)23)13-3-2-8-24-13/h2-3,8,10-12,17H,4-7,9H2,1H3,(H2,16,20)/t11-,12+/m0/s1.
What are the key properties of 1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide?
1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5S)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 6549822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).