4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide

C10H23N3O2S2 — CID 106066178

IUPAC4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
SMILESCSCCCNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H23N3O2S2/c1-16-8-2-5-12-17(14,15)13-6-3-10(9-11)4-7-13/h10,12H,2-9,11H2,1H3
InChIKeyMPWLERPHHFDYSW-UHFFFAOYSA-N
MW281.45 g/mol
LogP0.24
Rot. Bonds7

About 4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide (PubChem CID 106066178) has the molecular formula C10H23N3O2S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
PubChem CID106066178
Molecular FormulaC10H23N3O2S2
Molecular Weight281.45 g/mol
Exact Mass281.12
IUPAC Name4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
SMILESCSCCCNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H23N3O2S2/c1-16-8-2-5-12-17(14,15)13-6-3-10(9-11)4-7-13/h10,12H,2-9,11H2,1H3
InChIKeyMPWLERPHHFDYSW-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 50.24
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

4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077690
4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
CID 106077070
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
4-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-sulfonamide
CID 106055228
N-(2-methylsulfanylethyl)piperazine-1-sulfonamide
CID 63958312
4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
CID 83147300

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide (CID 106066178) is 4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide is CSCCCNS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide?
The InChIKey is MPWLERPHHFDYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S2/c1-16-8-2-5-12-17(14,15)13-6-3-10(9-11)4-7-13/h10,12H,2-9,11H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide has a molecular weight of 281.45 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106066178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).