(R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide

C13H24N4OS2 — CID 166761109

IUPAC(R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C13H24N4OS2/c1-10(16-20(18)13(2,3)4)11-14-12(15-19-11)17-8-6-5-7-9-17/h10,16H,5-9H2,1-4H3/t10-,20+/m0/s1
InChIKeyDLOLNPPBYWAGGM-WVDJIFEKSA-N
MW316.50 g/mol
LogP2.64
Rot. Bonds4

About (R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide (PubChem CID 166761109) has the molecular formula C13H24N4OS2 and a molecular weight of 316.50 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide
PubChem CID166761109
Molecular FormulaC13H24N4OS2
Molecular Weight316.50 g/mol
Exact Mass316.14
IUPAC Name(R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C13H24N4OS2/c1-10(16-20(18)13(2,3)4)11-14-12(15-19-11)17-8-6-5-7-9-17/h10,16H,5-9H2,1-4H3/t10-,20+/m0/s1
InChIKeyDLOLNPPBYWAGGM-WVDJIFEKSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 65274370
(S)-2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide
CID 166760933
(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine
CID 166760972
1-(3-Piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine
CID 166760974
(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride
CID 166761024
1-(3-Piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride
CID 166761027
2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide
CID 166761035
(NE,S)-2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide
CID 166761040
(S)-2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide
CID 166761043
(1R)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride
CID 166761107
(1R)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine
CID 166761108
(NE,R)-2-methyl-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethylidene]propane-2-sulfinamide
CID 166761117

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide (CID 166761109) is (R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1nc(N2CCCCC2)ns1.
What is the InChIKey of (R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide?
The InChIKey is DLOLNPPBYWAGGM-WVDJIFEKSA-N. The full InChI is InChI=1S/C13H24N4OS2/c1-10(16-20(18)13(2,3)4)11-14-12(15-19-11)17-8-6-5-7-9-17/h10,16H,5-9H2,1-4H3/t10-,20+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide has a molecular weight of 316.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 166761109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).