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

C10H23N3O2S2 — CID 106077690

IUPAC4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
SMILESCSC(C)CNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H23N3O2S2/c1-9(16-2)8-12-17(14,15)13-5-3-10(7-11)4-6-13/h9-10,12H,3-8,11H2,1-2H3
InChIKeyNSYNBIHEDVCISS-UHFFFAOYSA-N
MW281.45 g/mol
LogP0.24
Rot. Bonds6

About 4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide (PubChem CID 106077690) has the molecular formula C10H23N3O2S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
PubChem CID106077690
Molecular FormulaC10H23N3O2S2
Molecular Weight281.45 g/mol
Exact Mass281.12
IUPAC Name4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
SMILESCSC(C)CNS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H23N3O2S2/c1-9(16-2)8-12-17(14,15)13-5-3-10(7-11)4-6-13/h9-10,12H,3-8,11H2,1-2H3
InChIKeyNSYNBIHEDVCISS-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
CID 83147300
2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 114141978
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106065679
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
CID 106050486
N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 62667987
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide (CID 106077690) is 4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide is CSC(C)CNS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
The InChIKey is NSYNBIHEDVCISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S2/c1-9(16-2)8-12-17(14,15)13-5-3-10(7-11)4-6-13/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide has a molecular weight of 281.45 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106077690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).