1-tert-butyl-4-(sulfamoylamino)piperidine

C9H21N3O2S — CID 112686118

IUPAC1-tert-butyl-4-(sulfamoylamino)piperidine
SMILESCC(C)(C)N1CCC(NS(N)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-9(2,3)12-6-4-8(5-7-12)11-15(10,13)14/h8,11H,4-7H2,1-3H3,(H2,10,13,14)
InChIKeyWHJDIVOHSXMLMI-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.04
Rot. Bonds2

About 1-tert-butyl-4-(sulfamoylamino)piperidine

1-tert-butyl-4-(sulfamoylamino)piperidine (PubChem CID 112686118) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-tert-butyl-4-(sulfamoylamino)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(sulfamoylamino)piperidine
PubChem CID112686118
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-tert-butyl-4-(sulfamoylamino)piperidine
SMILESCC(C)(C)N1CCC(NS(N)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-9(2,3)12-6-4-8(5-7-12)11-15(10,13)14/h8,11H,4-7H2,1-3H3,(H2,10,13,14)
InChIKeyWHJDIVOHSXMLMI-UHFFFAOYSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-Butylpiperidin-4-amine
CID 17750401
4-amino-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 66819714
Methyl[(piperidin-4-yl)sulfamoyl]amine hydrochloride
CID 91643355
N-propylpiperidine-1-sulfonamide
CID 43243224
4-methyl-N-(3-methylbutan-2-yl)piperidine-1-sulfonamide
CID 43053258
4-(Diethylsulfamoylamino)-1-propylpiperidine
CID 53529219
N-(2-amino-2-ethylbutyl)piperidine-1-sulfonamide
CID 91645913
4-Aminopiperidine-1-sulfonamide
CID 24708471
4-Amino-n,n-dimethylpiperidine-1-sulfonamide
CID 28787699
4-amino-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 177772511
1-(2-Methylpropane-2-sulfonyl)piperidin-4-amine
CID 63687460
4-[Tert-butylsulfamoyl(2,2,2-trifluoroethyl)amino]piperidine
CID 114805025

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(sulfamoylamino)piperidine?
The IUPAC name of 1-tert-butyl-4-(sulfamoylamino)piperidine (CID 112686118) is 1-tert-butyl-4-(sulfamoylamino)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(sulfamoylamino)piperidine?
The canonical SMILES for 1-tert-butyl-4-(sulfamoylamino)piperidine is CC(C)(C)N1CCC(NS(N)(=O)=O)CC1.
What is the InChIKey of 1-tert-butyl-4-(sulfamoylamino)piperidine?
The InChIKey is WHJDIVOHSXMLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-9(2,3)12-6-4-8(5-7-12)11-15(10,13)14/h8,11H,4-7H2,1-3H3,(H2,10,13,14).
What are the key properties of 1-tert-butyl-4-(sulfamoylamino)piperidine?
1-tert-butyl-4-(sulfamoylamino)piperidine has a molecular weight of 235.35 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(sulfamoylamino)piperidine is sourced from PubChem (CID 112686118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).