5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine

C11H20N4O3S — CID 97200324

IUPAC5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCC[C@@H]2CCCCN2S(C)(=O)=O)o1
InChIInChI=1S/C11H20N4O3S/c1-9-13-14-11(18-9)12-7-6-10-5-3-4-8-15(10)19(2,16)17/h10H,3-8H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyXRCBMALWTMPNGM-JTQLQIEISA-N
MW288.37 g/mol
LogP0.99
Rot. Bonds5

About 5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine

5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 97200324) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID97200324
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCC[C@@H]2CCCCN2S(C)(=O)=O)o1
InChIInChI=1S/C11H20N4O3S/c1-9-13-14-11(18-9)12-7-6-10-5-3-4-8-15(10)19(2,16)17/h10H,3-8H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyXRCBMALWTMPNGM-JTQLQIEISA-N
XLogP0.99
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 95841554
N-(2-cyclobutylethyl)-5-methyl-1,3,4-oxadiazol-2-amine
CID 126997706
N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97137441
5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 72840824
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
[6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 135111126
5-tert-butyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97139412
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide
CID 118785685
1-methylsulfonyl-2-propylpyrrolidine
CID 59852648
2-(3-bromopropyl)-1-methylsulfonylpyrrolidine
CID 80675195
2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97436873

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine (CID 97200324) is 5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine is Cc1nnc(NCC[C@@H]2CCCCN2S(C)(=O)=O)o1.
What is the InChIKey of 5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XRCBMALWTMPNGM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9-13-14-11(18-9)12-7-6-10-5-3-4-8-15(10)19(2,16)17/h10H,3-8H2,1-2H3,(H,12,14)/t10-/m0/s1.
What are the key properties of 5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine?
5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 288.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97200324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).