1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine

C8H13N3O2S2 — CID 43664167

IUPAC1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine
SMILESO=S1(=O)CCC(NCc2csnn2)CC1
InChIInChI=1S/C8H13N3O2S2/c12-15(13)3-1-7(2-4-15)9-5-8-6-14-11-10-8/h6-7,9H,1-5H2
InChIKeyKKCXMQNGAVZHBW-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.20
Rot. Bonds3

About 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine

1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine (PubChem CID 43664167) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine
PubChem CID43664167
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine
SMILESO=S1(=O)CCC(NCc2csnn2)CC1
InChIInChI=1S/C8H13N3O2S2/c12-15(13)3-1-7(2-4-15)9-5-8-6-14-11-10-8/h6-7,9H,1-5H2
InChIKeyKKCXMQNGAVZHBW-UHFFFAOYSA-N
XLogP0.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 164632586
1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine
CID 43663807
1-ethylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43664086
N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide
CID 43664088
2-(Thiadiazol-4-ylmethylamino)ethanesulfonamide
CID 43664153
1-methylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43664169
3-methyl-1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine
CID 43679949
1-propylsulfonyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43748013
N-ethyl-N-[3-(thiadiazol-4-ylmethylamino)propyl]methanesulfonamide
CID 54903680
2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 60919941
3-methylsulfonyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 61020649
1-(1,1-dioxothiolan-3-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 61057536

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine?
The IUPAC name of 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine (CID 43664167) is 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine is O=S1(=O)CCC(NCc2csnn2)CC1.
What is the InChIKey of 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine?
The InChIKey is KKCXMQNGAVZHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c12-15(13)3-1-7(2-4-15)9-5-8-6-14-11-10-8/h6-7,9H,1-5H2.
What are the key properties of 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine?
1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine has a molecular weight of 247.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine is sourced from PubChem (CID 43664167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).