4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide

C14H31N3O2S — CID 99782079

IUPAC4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide
SMILESCNC[C@@H](C)CNS(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3O2S/c1-12(10-15-5)11-16-20(18,19)17-8-6-13(7-9-17)14(2,3)4/h12-13,15-16H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyKFYIYPJZYAAZCU-GFCCVEGCSA-N
MW305.49 g/mol
LogP1.43
Rot. Bonds6

About 4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide

4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide (PubChem CID 99782079) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide
PubChem CID99782079
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide
SMILESCNC[C@@H](C)CNS(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3O2S/c1-12(10-15-5)11-16-20(18,19)17-8-6-13(7-9-17)14(2,3)4/h12-13,15-16H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyKFYIYPJZYAAZCU-GFCCVEGCSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
CID 115302890
N-[2-methyl-3-(methylamino)propyl]morpholine-4-sulfonamide
CID 115302914
4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide
CID 86784586
4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
CID 83147300
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
4-tert-butylpiperidine-1-sulfonyl chloride
CID 62089689
4-tert-butyl-1-cyclopropylsulfonylpiperidine
CID 59732265
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 62667987
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
1-(4-tert-butylpiperidin-1-yl)-N-methylpropan-2-amine
CID 62089869
4-tert-butyl-1-(cyclopropylmethylsulfonyl)piperidine
CID 170685638

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide?
The IUPAC name of 4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide (CID 99782079) is 4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide is CNC[C@@H](C)CNS(=O)(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide?
The InChIKey is KFYIYPJZYAAZCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-12(10-15-5)11-16-20(18,19)17-8-6-13(7-9-17)14(2,3)4/h12-13,15-16H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide?
4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 99782079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).