3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine

C10H18N4O2S2 — CID 127651664

IUPAC3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC[C@H]2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C10H18N4O2S2/c1-3-9-12-10(17-13-9)11-7-8-5-4-6-14(8)18(2,15)16/h8H,3-7H2,1-2H3,(H,11,12,13)/t8-/m1/s1
InChIKeyJWXCGAHPTORFCY-MRVPVSSYSA-N
MW290.41 g/mol
LogP0.94
Rot. Bonds5

About 3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 127651664) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID127651664
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC[C@H]2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C10H18N4O2S2/c1-3-9-12-10(17-13-9)11-7-8-5-4-6-14(8)18(2,15)16/h8H,3-7H2,1-2H3,(H,11,12,13)/t8-/m1/s1
InChIKeyJWXCGAHPTORFCY-MRVPVSSYSA-N
XLogP0.94
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 122149506
N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 137921975
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267563
N-ethyl-N-[3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
CID 65268212
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65268218
N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
CID 65271301
N-ethyl-N-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
CID 65271302
3-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271317
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271319
3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271320
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271378
3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271379

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 127651664) is 3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NC[C@H]2CCCN2S(C)(=O)=O)n1.
What is the InChIKey of 3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is JWXCGAHPTORFCY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-3-9-12-10(17-13-9)11-7-8-5-4-6-14(8)18(2,15)16/h8H,3-7H2,1-2H3,(H,11,12,13)/t8-/m1/s1.
What are the key properties of 3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 290.41 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 127651664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).