4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide

C8H19N3O2S2 — CID 114804083

IUPAC4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(CN)(SC)CC1
InChIInChI=1S/C8H19N3O2S2/c1-10-15(12,13)11-5-3-8(7-9,14-2)4-6-11/h10H,3-7,9H2,1-2H3
InChIKeyRNSHKJQCQULPAD-UHFFFAOYSA-N
MW253.39 g/mol
LogP-0.39
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide

4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide (PubChem CID 114804083) has the molecular formula C8H19N3O2S2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide
PubChem CID114804083
Molecular FormulaC8H19N3O2S2
Molecular Weight253.39 g/mol
Exact Mass253.09
IUPAC Name4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(CN)(SC)CC1
InChIInChI=1S/C8H19N3O2S2/c1-10-15(12,13)11-5-3-8(7-9,14-2)4-6-11/h10H,3-7,9H2,1-2H3
InChIKeyRNSHKJQCQULPAD-UHFFFAOYSA-N
XLogP-0.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 163619342
[1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine
CID 82888931
N-methylazocane-1-sulfonamide
CID 130686123
N-methylazepane-1-sulfonamide
CID 28784575
4-(aminomethyl)-N-tert-butyl-4-methylpiperidine-1-sulfonamide
CID 107160206
3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324162
[4-methylsulfanyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methanamine
CID 114598405
4-[4-(aminomethyl)-4-methylsulfanylpiperidin-1-yl]-2-methylbutan-2-ol
CID 79359742
N-methylpiperazine-1-sulfonamide;hydrochloride
CID 86812477
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
N-methyl-4-methylsulfanyl-1-methylsulfonylpiperidin-4-amine
CID 170053686
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide (CID 114804083) is 4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide is CNS(=O)(=O)N1CCC(CN)(SC)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide?
The InChIKey is RNSHKJQCQULPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S2/c1-10-15(12,13)11-5-3-8(7-9,14-2)4-6-11/h10H,3-7,9H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide?
4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide has a molecular weight of 253.39 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-4-methylsulfanylpiperidine-1-sulfonamide is sourced from PubChem (CID 114804083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).