3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide

C9H21N3O2S2 — CID 106063540

IUPAC3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
SMILESCSCCNS(=O)(=O)N1CCCC(CN)C1
InChIInChI=1S/C9H21N3O2S2/c1-15-6-4-11-16(13,14)12-5-2-3-9(7-10)8-12/h9,11H,2-8,10H2,1H3
InChIKeyYJWFTEDLATVNRQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP-0.15
Rot. Bonds6

About 3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide

3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide (PubChem CID 106063540) has the molecular formula C9H21N3O2S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
PubChem CID106063540
Molecular FormulaC9H21N3O2S2
Molecular Weight267.42 g/mol
Exact Mass267.11
IUPAC Name3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
SMILESCSCCNS(=O)(=O)N1CCCC(CN)C1
InChIInChI=1S/C9H21N3O2S2/c1-15-6-4-11-16(13,14)12-5-2-3-9(7-10)8-12/h9,11H,2-8,10H2,1H3
InChIKeyYJWFTEDLATVNRQ-UHFFFAOYSA-N
XLogP-0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfanylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106063829
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
CID 106049657
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052802
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106053544
3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide
CID 106077004
3-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018056

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide (CID 106063540) is 3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide is CSCCNS(=O)(=O)N1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide?
The InChIKey is YJWFTEDLATVNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S2/c1-15-6-4-11-16(13,14)12-5-2-3-9(7-10)8-12/h9,11H,2-8,10H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide?
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide has a molecular weight of 267.42 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106063540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).