N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine

C5H9N3O2S2 — CID 65271057

IUPACN-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCNc1ncns1
InChIInChI=1S/C5H9N3O2S2/c1-12(9,10)3-2-6-5-7-4-8-11-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyZBWIMEYYBSKDIS-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.01
Rot. Bonds4

About N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine

N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271057) has the molecular formula C5H9N3O2S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271057
Molecular FormulaC5H9N3O2S2
Molecular Weight207.28 g/mol
Exact Mass207.01
IUPAC NameN-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCNc1ncns1
InChIInChI=1S/C5H9N3O2S2/c1-12(9,10)3-2-6-5-7-4-8-11-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyZBWIMEYYBSKDIS-UHFFFAOYSA-N
XLogP-0.01
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65267745
N-ethyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
CID 65269210
N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271071
N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide
CID 65271450
2-(1,2,4-Thiadiazol-5-ylamino)ethanesulfonamide
CID 65271506
N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine
CID 65271623
N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65271714
N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
CID 65271759
N-(3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273706
N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65273940
N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine
CID 65274390
N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
CID 65274565

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine (CID 65271057) is N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine is CS(=O)(=O)CCNc1ncns1.
What is the InChIKey of N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZBWIMEYYBSKDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S2/c1-12(9,10)3-2-6-5-7-4-8-11-5/h4H,2-3H2,1H3,(H,6,7,8).
What are the key properties of N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 207.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).