1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine

C9H15N3O2S2 — CID 164632586

IUPAC1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
SMILESO=S1(=O)CCCC[C@@H]1CNCc1csnn1
InChIInChI=1S/C9H15N3O2S2/c13-16(14)4-2-1-3-9(16)6-10-5-8-7-15-12-11-8/h7,9-10H,1-6H2/t9-/m1/s1
InChIKeyDXYSREBIUHIGIC-SECBINFHSA-N
MW261.37 g/mol
LogP0.60
Rot. Bonds4

About 1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine

1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 164632586) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID164632586
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
SMILESO=S1(=O)CCCC[C@@H]1CNCc1csnn1
InChIInChI=1S/C9H15N3O2S2/c13-16(14)4-2-1-3-9(16)6-10-5-8-7-15-12-11-8/h7,9-10H,1-6H2/t9-/m1/s1
InChIKeyDXYSREBIUHIGIC-SECBINFHSA-N
XLogP0.60
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 43663807
CID 43663807
CID 43664086
CID 43664086
CID 43664153
CID 43664153
CID 43664167
CID 43664167
CID 43664169
CID 43664169
CID 43679949
CID 43679949
CID 43748013
CID 43748013
CID 60919941
CID 60919941
CID 61020649
CID 61020649
CID 61057536
CID 61057536
CID 61885266
CID 61885266
CID 63921900
CID 63921900

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine (CID 164632586) is 1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine is O=S1(=O)CCCC[C@@H]1CNCc1csnn1.
What is the InChIKey of 1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is DXYSREBIUHIGIC-SECBINFHSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c13-16(14)4-2-1-3-9(16)6-10-5-8-7-15-12-11-8/h7,9-10H,1-6H2/t9-/m1/s1.
What are the key properties of 1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 261.37 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 164632586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).