1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine

C7H11N3O2S2 — CID 43663807

IUPAC1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine
SMILESO=S1(=O)CCC(NCc2csnn2)C1
InChIInChI=1S/C7H11N3O2S2/c11-14(12)2-1-6(5-14)8-3-7-4-13-10-9-7/h4,6,8H,1-3,5H2
InChIKeyKSYGKXGCHQQPMJ-UHFFFAOYSA-N
MW233.32 g/mol
LogP-0.19
Rot. Bonds3

About 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine

1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine (PubChem CID 43663807) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine
PubChem CID43663807
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC Name1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine
SMILESO=S1(=O)CCC(NCc2csnn2)C1
InChIInChI=1S/C7H11N3O2S2/c11-14(12)2-1-6(5-14)8-3-7-4-13-10-9-7/h4,6,8H,1-3,5H2
InChIKeyKSYGKXGCHQQPMJ-UHFFFAOYSA-N
XLogP-0.19
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide
CID 86785240
1-[(2R)-1,1-dioxothian-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 164632586
4-(1,3-Thiazolidin-2-yl)thiadiazole
CID 130592628
N-[2-(thiadiazol-4-ylmethylamino)ethyl]methanesulfonamide
CID 43664088
2-(Thiadiazol-4-ylmethylamino)ethanesulfonamide
CID 43664153
1,1-dioxo-N-(thiadiazol-4-ylmethyl)thian-4-amine
CID 43664167
3-methyl-1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine
CID 43679949
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
3-(Thiadiazol-4-ylmethylamino)propane-1-sulfonamide
CID 61885266

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine (CID 43663807) is 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine is O=S1(=O)CCC(NCc2csnn2)C1.
What is the InChIKey of 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine?
The InChIKey is KSYGKXGCHQQPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c11-14(12)2-1-6(5-14)8-3-7-4-13-10-9-7/h4,6,8H,1-3,5H2.
What are the key properties of 1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine?
1,1-dioxo-N-(thiadiazol-4-ylmethyl)thiolan-3-amine has a molecular weight of 233.32 g/mol, XLogP of -0.19, 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)thiolan-3-amine is sourced from PubChem (CID 43663807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).