4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

C15H25N3O2S — CID 91662509

IUPAC4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESCn1cccc1CN1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H25N3O2S/c1-16-6-2-3-15(16)13-17-7-4-14(5-8-17)18-9-11-21(19,20)12-10-18/h2-3,6,14H,4-5,7-13H2,1H3
InChIKeyPBXNCIRWENBLIZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.72
Rot. Bonds3

About 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 91662509) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID91662509
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESCn1cccc1CN1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H25N3O2S/c1-16-6-2-3-15(16)13-17-7-4-14(5-8-17)18-9-11-21(19,20)12-10-18/h2-3,6,14H,4-5,7-13H2,1H3
InChIKeyPBXNCIRWENBLIZ-UHFFFAOYSA-N
XLogP0.72
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185597
1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine
CID 150371649
1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183065
4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 91401399
1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole
CID 23396939
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine
CID 63632366
1-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]piperidin-4-amine
CID 62132410
2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine
CID 86800334
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine
CID 773054
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-[(1-methylpyrrol-2-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 126467816

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (CID 91662509) is 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is Cn1cccc1CN1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is PBXNCIRWENBLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-16-6-2-3-15(16)13-17-7-4-14(5-8-17)18-9-11-21(19,20)12-10-18/h2-3,6,14H,4-5,7-13H2,1H3.
What are the key properties of 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 311.45 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 91662509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).