1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C17H27N5O4S2 — CID 55991046

IUPAC1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCC(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C17H27N5O4S2/c1-2-11-28(25,26)22-8-4-3-5-14(22)16(24)21-9-6-13(7-10-21)15(23)19-17-20-18-12-27-17/h12-14H,2-11H2,1H3,(H,19,20,23)
InChIKeyGRRLACJPOAZNSG-UHFFFAOYSA-N
MW429.57 g/mol
LogP1.31
Rot. Bonds6

About 1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55991046) has the molecular formula C17H27N5O4S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID55991046
Molecular FormulaC17H27N5O4S2
Molecular Weight429.57 g/mol
Exact Mass429.15
IUPAC Name1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCC(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C17H27N5O4S2/c1-2-11-28(25,26)22-8-4-3-5-14(22)16(24)21-9-6-13(7-10-21)15(23)19-17-20-18-12-27-17/h12-14H,2-11H2,1H3,(H,19,20,23)
InChIKeyGRRLACJPOAZNSG-UHFFFAOYSA-N
XLogP1.31
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6471356
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
(4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone
CID 55996730
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55992321
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
1-(3,3-difluorobutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 154739258
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 98726037
1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 56552889
1-(5-ethylfuran-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523042
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203
1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47387426

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 55991046) is 1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)N1CCC(C(=O)Nc2nncs2)CC1.
What is the InChIKey of 1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is GRRLACJPOAZNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4S2/c1-2-11-28(25,26)22-8-4-3-5-14(22)16(24)21-9-6-13(7-10-21)15(23)19-17-20-18-12-27-17/h12-14H,2-11H2,1H3,(H,19,20,23).
What are the key properties of 1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55991046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).