tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate

C14H23N5O5S2 — CID 56549084

IUPACtert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C14H23N5O5S2/c1-14(2,3)24-13(21)19-8-6-5-7-9(19)10(20)15-11-16-17-12(25-11)18-26(4,22)23/h9H,5-8H2,1-4H3,(H,17,18)(H,15,16,20)
InChIKeyCJVXSTNGXVSVGW-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.64
Rot. Bonds4

About tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 56549084) has the molecular formula C14H23N5O5S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID56549084
Molecular FormulaC14H23N5O5S2
Molecular Weight405.50 g/mol
Exact Mass405.11
IUPAC Nametert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C14H23N5O5S2/c1-14(2,3)24-13(21)19-8-6-5-7-9(19)10(20)15-11-16-17-12(25-11)18-26(4,22)23/h9H,5-8H2,1-4H3,(H,17,18)(H,15,16,20)
InChIKeyCJVXSTNGXVSVGW-UHFFFAOYSA-N
XLogP1.64
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidine-1-carboxylate
CID 67953726
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate
CID 58563765
tert-butyl (2S)-2-(acetamidocarbamoyl)piperidine-1-carboxylate
CID 131748452
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate
CID 76831366
tert-butyl 2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 91820808
tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 95179847
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 174205004
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 156529148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate (CID 56549084) is tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C(=O)Nc1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is CJVXSTNGXVSVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O5S2/c1-14(2,3)24-13(21)19-8-6-5-7-9(19)10(20)15-11-16-17-12(25-11)18-26(4,22)23/h9H,5-8H2,1-4H3,(H,17,18)(H,15,16,20).
What are the key properties of tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 56549084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).