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

C13H24N4OS2 — CID 169046443

IUPAC(2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide
SMILESCC[C@H](C)S(=O)NC(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?/m0/s1
InChIKeyRYYVMLIYOWRXAX-UHVLBDPFSA-N
MW316.50 g/mol
LogP2.64
Rot. Bonds6

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

(2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide (PubChem CID 169046443) has the molecular formula C13H24N4OS2 and a molecular weight of 316.50 g/mol. Its IUPAC name is (2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide.

Molecular Properties

Compound Name(2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide
PubChem CID169046443
Molecular FormulaC13H24N4OS2
Molecular Weight316.50 g/mol
Exact Mass316.14
IUPAC Name(2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide
SMILESCC[C@H](C)S(=O)NC(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?/m0/s1
InChIKeyRYYVMLIYOWRXAX-UHVLBDPFSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide?
The IUPAC name of (2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide (CID 169046443) is (2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide.
What is the SMILES notation for (2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide?
The canonical SMILES for (2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide is CC[C@H](C)S(=O)NC(C)c1nc(N2CCCCC2)ns1.
What is the InChIKey of (2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide?
The InChIKey is RYYVMLIYOWRXAX-UHVLBDPFSA-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?/m0/s1.
What are the key properties of (2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide?
(2S)-N-[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 (2S)-N-[1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]butane-2-sulfinamide is sourced from PubChem (CID 169046443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).