N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide

C11H18N4O3S2 — CID 22517535

IUPACN-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C11H18N4O3S2/c1-3-9(16)12-10-13-14-11(19-10)20(17,18)15-6-4-8(2)5-7-15/h8H,3-7H2,1-2H3,(H,12,13,16)
InChIKeyRXUPTKAKWLZOPL-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.31
Rot. Bonds4

About N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide

N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 22517535) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID22517535
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC NameN-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C11H18N4O3S2/c1-3-9(16)12-10-13-14-11(19-10)20(17,18)15-6-4-8(2)5-7-15/h8H,3-7H2,1-2H3,(H,12,13,16)
InChIKeyRXUPTKAKWLZOPL-UHFFFAOYSA-N
XLogP1.31
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide (CID 22517535) is N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1.
What is the InChIKey of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is RXUPTKAKWLZOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-3-9(16)12-10-13-14-11(19-10)20(17,18)15-6-4-8(2)5-7-15/h8H,3-7H2,1-2H3,(H,12,13,16).
What are the key properties of N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 22517535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).