N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide

C11H21N3O3S — CID 63102388

IUPACN-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)NC2CCS(=O)(=O)CC2)CN1
InChIInChI=1S/C11H21N3O3S/c1-8-6-13-10(7-12-8)11(15)14-9-2-4-18(16,17)5-3-9/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyVNRQUGQVIKDIOQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP-1.37
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide

N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide (PubChem CID 63102388) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide
PubChem CID63102388
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)NC2CCS(=O)(=O)CC2)CN1
InChIInChI=1S/C11H21N3O3S/c1-8-6-13-10(7-12-8)11(15)14-9-2-4-18(16,17)5-3-9/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyVNRQUGQVIKDIOQ-UHFFFAOYSA-N
XLogP-1.37
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide
CID 43615347
5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide
CID 63103124
N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide
CID 107855875
N-cyclohexylaziridine-2-carboxamide;methanol
CID 142164431
N-cyclohexylaziridine-2-carboxamide
CID 142164432
N-(2-methoxycyclopentyl)-5-methylpiperazine-2-carboxamide
CID 63103670
N-cyclooctyl-6-methylpiperidine-2-carboxamide
CID 43185115
5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide
CID 83016765
1-cyclopropyl-3-(1,1-dioxothian-4-yl)urea
CID 115673028
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231
N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide
CID 63102938
5-methyl-N-pentan-3-ylpiperazine-2-carboxamide
CID 63102564

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide (CID 63102388) is N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide is CC1CNC(C(=O)NC2CCS(=O)(=O)CC2)CN1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide?
The InChIKey is VNRQUGQVIKDIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-8-6-13-10(7-12-8)11(15)14-9-2-4-18(16,17)5-3-9/h8-10,12-13H,2-7H2,1H3,(H,14,15).
What are the key properties of N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide?
N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63102388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).