2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide

C11H25N3O2S — CID 114384873

IUPAC2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide
SMILESCC(C)(C)N1CCC(NCCS(N)(=O)=O)CC1
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)14-7-4-10(5-8-14)13-6-9-17(12,15)16/h10,13H,4-9H2,1-3H3,(H2,12,15,16)
InChIKeyIDMJKWZWGLSHHH-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.13
Rot. Bonds4

About 2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide

2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide (PubChem CID 114384873) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide
PubChem CID114384873
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide
SMILESCC(C)(C)N1CCC(NCCS(N)(=O)=O)CC1
InChIInChI=1S/C11H25N3O2S/c1-11(2,3)14-7-4-10(5-8-14)13-6-9-17(12,15)16/h10,13H,4-9H2,1-3H3,(H2,12,15,16)
InChIKeyIDMJKWZWGLSHHH-UHFFFAOYSA-N
XLogP0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[4-(2-sulfamoylethylamino)piperidin-1-yl]acetamide
CID 43777289
N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 61430975
(1-tert-butylpiperidin-4-yl)hydrazine
CID 21097250
1-tert-butyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-amine
CID 58311619
2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide
CID 81466039
2-[(3-methoxycyclobutyl)amino]ethanesulfonamide
CID 106821299
(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 103906834
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
CID 79462833
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 62982190
1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine
CID 106723200

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide (CID 114384873) is 2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide is CC(C)(C)N1CCC(NCCS(N)(=O)=O)CC1.
What is the InChIKey of 2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide?
The InChIKey is IDMJKWZWGLSHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-11(2,3)14-7-4-10(5-8-14)13-6-9-17(12,15)16/h10,13H,4-9H2,1-3H3,(H2,12,15,16).
What are the key properties of 2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide?
2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 114384873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).