2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide

C10H23N3O2S2 — CID 114141978

IUPAC2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
SMILESCSC(C)CNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C10H23N3O2S2/c1-9(16-2)8-12-17(14,15)13-6-4-3-5-10(13)7-11/h9-10,12H,3-8,11H2,1-2H3
InChIKeyLEIMGHDVMWHTLX-UHFFFAOYSA-N
MW281.45 g/mol
LogP0.39
Rot. Bonds6

About 2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide (PubChem CID 114141978) has the molecular formula C10H23N3O2S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
PubChem CID114141978
Molecular FormulaC10H23N3O2S2
Molecular Weight281.45 g/mol
Exact Mass281.12
IUPAC Name2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
SMILESCSC(C)CNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C10H23N3O2S2/c1-9(16-2)8-12-17(14,15)13-6-4-3-5-10(13)7-11/h9-10,12H,3-8,11H2,1-2H3
InChIKeyLEIMGHDVMWHTLX-UHFFFAOYSA-N
XLogP0.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077690
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106080037
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094076
2-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433776
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
CID 106051256
2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816832
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522853

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide (CID 114141978) is 2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide is CSC(C)CNS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
The InChIKey is LEIMGHDVMWHTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S2/c1-9(16-2)8-12-17(14,15)13-6-4-3-5-10(13)7-11/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide has a molecular weight of 281.45 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114141978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).