1,3,5-thiadiazinane-4-carboxamide

C4H9N3OS — CID 174427420

IUPAC1,3,5-thiadiazinane-4-carboxamide
SMILESNC(=O)C1NCSCN1
InChIInChI=1S/C4H9N3OS/c5-3(8)4-6-1-9-2-7-4/h4,6-7H,1-2H2,(H2,5,8)
InChIKeyLSIMMRUSIQAHIN-UHFFFAOYSA-N
MW147.20 g/mol
LogP-1.36
Rot. Bonds1

About 1,3,5-thiadiazinane-4-carboxamide

1,3,5-thiadiazinane-4-carboxamide (PubChem CID 174427420) has the molecular formula C4H9N3OS and a molecular weight of 147.20 g/mol. Its IUPAC name is 1,3,5-thiadiazinane-4-carboxamide.

Molecular Properties

Compound Name1,3,5-thiadiazinane-4-carboxamide
PubChem CID174427420
Molecular FormulaC4H9N3OS
Molecular Weight147.20 g/mol
Exact Mass147.05
IUPAC Name1,3,5-thiadiazinane-4-carboxamide
SMILESNC(=O)C1NCSCN1
InChIInChI=1S/C4H9N3OS/c5-3(8)4-6-1-9-2-7-4/h4,6-7H,1-2H2,(H2,5,8)
InChIKeyLSIMMRUSIQAHIN-UHFFFAOYSA-N
XLogP-1.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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(2S)-4-ethylpyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1,3,5-thiadiazinane-4-carboxamide?
The IUPAC name of 1,3,5-thiadiazinane-4-carboxamide (CID 174427420) is 1,3,5-thiadiazinane-4-carboxamide.
What is the SMILES notation for 1,3,5-thiadiazinane-4-carboxamide?
The canonical SMILES for 1,3,5-thiadiazinane-4-carboxamide is NC(=O)C1NCSCN1.
What is the InChIKey of 1,3,5-thiadiazinane-4-carboxamide?
The InChIKey is LSIMMRUSIQAHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3OS/c5-3(8)4-6-1-9-2-7-4/h4,6-7H,1-2H2,(H2,5,8).
What are the key properties of 1,3,5-thiadiazinane-4-carboxamide?
1,3,5-thiadiazinane-4-carboxamide has a molecular weight of 147.20 g/mol, XLogP of -1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-thiadiazinane-4-carboxamide is sourced from PubChem (CID 174427420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).