2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C10H17N5O3S — CID 80520792

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCCc1ncn[nH]1
InChIInChI=1S/C10H17N5O3S/c16-10(12-2-1-9-13-7-14-15-9)5-8-6-19(17,18)4-3-11-8/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15)
InChIKeyDNSPMGLQNZZMCM-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.76
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 80520792) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID80520792
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCCc1ncn[nH]1
InChIInChI=1S/C10H17N5O3S/c16-10(12-2-1-9-13-7-14-15-9)5-8-6-19(17,18)4-3-11-8/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15)
InChIKeyDNSPMGLQNZZMCM-UHFFFAOYSA-N
XLogP-1.76
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 80518129
2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 61365653
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-octylacetamide
CID 115568056
2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64532137
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 80519850
methyl 2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]acetate
CID 80520066
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pent-4-ynylacetamide
CID 114160164
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 80520764
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 80519770
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-diethylpropanamide
CID 80516106

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 80520792) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is O=C(CC1CS(=O)(=O)CCN1)NCCc1ncn[nH]1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is DNSPMGLQNZZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c16-10(12-2-1-9-13-7-14-15-9)5-8-6-19(17,18)4-3-11-8/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 287.34 g/mol, XLogP of -1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 80520792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).