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

C13H24N4OS2 — CID 169046445

IUPAC(2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide
SMILESCC[C@@H](C)S(=O)N[C@@H](C)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C13H24N4OS2/c1-4-10(2)20(18)16-11(3)12-14-13(15-19-12)17-8-6-5-7-9-17/h10-11,16H,4-9H2,1-3H3/t10-,11+,20?/m1/s1
InChIKeyRYYVMLIYOWRXAX-GFVHNQSTSA-N
MW316.50 g/mol
LogP2.64
Rot. Bonds6

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

(2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide (PubChem CID 169046445) has the molecular formula C13H24N4OS2 and a molecular weight of 316.50 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide
PubChem CID169046445
Molecular FormulaC13H24N4OS2
Molecular Weight316.50 g/mol
Exact Mass316.14
IUPAC Name(2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide
SMILESCC[C@@H](C)S(=O)N[C@@H](C)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C13H24N4OS2/c1-4-10(2)20(18)16-11(3)12-14-13(15-19-12)17-8-6-5-7-9-17/h10-11,16H,4-9H2,1-3H3/t10-,11+,20?/m1/s1
InChIKeyRYYVMLIYOWRXAX-GFVHNQSTSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

(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
(R)-2-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]propane-2-sulfinamide
CID 166761109
(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 (2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide?
The IUPAC name of (2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide (CID 169046445) is (2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide?
The canonical SMILES for (2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide is CC[C@@H](C)S(=O)N[C@@H](C)c1nc(N2CCCCC2)ns1.
What is the InChIKey of (2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide?
The InChIKey is RYYVMLIYOWRXAX-GFVHNQSTSA-N. The full InChI is InChI=1S/C13H24N4OS2/c1-4-10(2)20(18)16-11(3)12-14-13(15-19-12)17-8-6-5-7-9-17/h10-11,16H,4-9H2,1-3H3/t10-,11+,20?/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide?
(2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide has a molecular weight of 316.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide is sourced from PubChem (CID 169046445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).