(5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide

C10H17N3O3S2 — CID 146619371

IUPAC(5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESCCOCCN1CC[C@@H](c2nccs2)NS1(=O)=O
InChIInChI=1S/C10H17N3O3S2/c1-2-16-7-6-13-5-3-9(12-18(13,14)15)10-11-4-8-17-10/h4,8-9,12H,2-3,5-7H2,1H3/t9-/m0/s1
InChIKeyXJJONSLRZFCPSS-VIFPVBQESA-N
MW291.40 g/mol
LogP0.76
Rot. Bonds5

About (5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide

(5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 146619371) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name(5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID146619371
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name(5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESCCOCCN1CC[C@@H](c2nccs2)NS1(=O)=O
InChIInChI=1S/C10H17N3O3S2/c1-2-16-7-6-13-5-3-9(12-18(13,14)15)10-11-4-8-17-10/h4,8-9,12H,2-3,5-7H2,1H3/t9-/m0/s1
InChIKeyXJJONSLRZFCPSS-VIFPVBQESA-N
XLogP0.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-2-(3-morpholin-4-ylpropyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide
CID 146619369
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole
CID 122139894
2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 3719755
2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 7047975
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-(3-methoxypropyl)-1,1-dioxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 135317589
ethyl 2-methyl-4-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 123485807
2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole
CID 170533293
3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide
CID 97217221
4-methyl-2-(1,3-thiazol-2-yl)piperazin-1-amine
CID 82398118
N-(3-chloro-4-fluorophenyl)-2-[2-(dipropylamino)ethyl]-1,1-dioxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 142420079

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of (5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide (CID 146619371) is (5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for (5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for (5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide is CCOCCN1CC[C@@H](c2nccs2)NS1(=O)=O.
What is the InChIKey of (5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is XJJONSLRZFCPSS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-2-16-7-6-13-5-3-9(12-18(13,14)15)10-11-4-8-17-10/h4,8-9,12H,2-3,5-7H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide?
(5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 291.40 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 146619371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).