2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide

C14H21N3O2S — CID 84815558

IUPAC2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(CC2CCCN2)CCCN1c1ccccc1
InChIInChI=1S/C14H21N3O2S/c18-20(19)16(12-13-6-4-9-15-13)10-5-11-17(20)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2
InChIKeyTYQZBNYYCOOZGU-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.20
Rot. Bonds3

About 2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide

2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 84815558) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID84815558
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)N(CC2CCCN2)CCCN1c1ccccc1
InChIInChI=1S/C14H21N3O2S/c18-20(19)16(12-13-6-4-9-15-13)10-5-11-17(20)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2
InChIKeyTYQZBNYYCOOZGU-UHFFFAOYSA-N
XLogP1.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine
CID 121498693
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2-(pyrrolidin-2-ylmethyl)-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814051
3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
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11-[[(2S)-pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine 5,5-dioxide
CID 22841646
3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 24937509
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
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2-[(3-phenylazetidin-1-yl)methyl]piperidine
CID 79677520
1-(3-methylphenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 22689612
1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one
CID 102819783
1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 93022446

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide (CID 84815558) is 2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)N(CC2CCCN2)CCCN1c1ccccc1.
What is the InChIKey of 2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is TYQZBNYYCOOZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-20(19)16(12-13-6-4-9-15-13)10-5-11-17(20)14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2.
What are the key properties of 2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide?
2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 295.41 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(pyrrolidin-2-ylmethyl)-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 84815558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).