tert-butyl 3-sulfamoylpiperidine-1-carboxylate

C10H20N2O4S — CID 122702227

IUPACtert-butyl 3-sulfamoylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)12-6-4-5-8(7-12)17(11,14)15/h8H,4-7H2,1-3H3,(H2,11,14,15)
InChIKeySCXXNCYVUUIURI-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.67
Rot. Bonds1

About tert-butyl 3-sulfamoylpiperidine-1-carboxylate

tert-butyl 3-sulfamoylpiperidine-1-carboxylate (PubChem CID 122702227) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is tert-butyl 3-sulfamoylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-sulfamoylpiperidine-1-carboxylate
PubChem CID122702227
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Nametert-butyl 3-sulfamoylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)12-6-4-5-8(7-12)17(11,14)15/h8H,4-7H2,1-3H3,(H2,11,14,15)
InChIKeySCXXNCYVUUIURI-UHFFFAOYSA-N
XLogP0.67
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-2-methylpropanoyl)piperidine-3-sulfonamide
CID 103710680
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
tert-butyl 3-(3-bromophenyl)sulfonylpiperidine-1-carboxylate
CID 53425159
tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
CID 97171851
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl (3S)-3-(methylsulfonimidoyl)pyrrolidine-1-carboxylate
CID 125499804
tert-butyl 3-(1-aminocyclopentyl)piperidine-1-carboxylate
CID 115071767
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
zinc tert-butyl (3S)-3-methanidylpiperidine-1-carboxylate
CID 152945495
tert-butyl 3-(hydrazinesulfonyl)azetidine-1-carboxylate
CID 153328230

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-sulfamoylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-sulfamoylpiperidine-1-carboxylate (CID 122702227) is tert-butyl 3-sulfamoylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-sulfamoylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-sulfamoylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(S(N)(=O)=O)C1.
What is the InChIKey of tert-butyl 3-sulfamoylpiperidine-1-carboxylate?
The InChIKey is SCXXNCYVUUIURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)12-6-4-5-8(7-12)17(11,14)15/h8H,4-7H2,1-3H3,(H2,11,14,15).
What are the key properties of tert-butyl 3-sulfamoylpiperidine-1-carboxylate?
tert-butyl 3-sulfamoylpiperidine-1-carboxylate has a molecular weight of 264.35 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-sulfamoylpiperidine-1-carboxylate is sourced from PubChem (CID 122702227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).