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

C11H25N3O2S2 — CID 106077916

IUPAC2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NCC(C)SC
InChIInChI=1S/C11H25N3O2S2/c1-10(17-3)8-13-18(15,16)14-7-5-4-6-11(14)9-12-2/h10-13H,4-9H2,1-3H3
InChIKeyYUWMUODVUKEGKM-UHFFFAOYSA-N
MW295.47 g/mol
LogP0.65
Rot. Bonds7

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

2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide (PubChem CID 106077916) has the molecular formula C11H25N3O2S2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
PubChem CID106077916
Molecular FormulaC11H25N3O2S2
Molecular Weight295.47 g/mol
Exact Mass295.14
IUPAC Name2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NCC(C)SC
InChIInChI=1S/C11H25N3O2S2/c1-10(17-3)8-13-18(15,16)14-7-5-4-6-11(14)9-12-2/h10-13H,4-9H2,1-3H3
InChIKeyYUWMUODVUKEGKM-UHFFFAOYSA-N
XLogP0.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 114141978
2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816832
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 102701704
2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091786
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
N-(4-methylsulfanylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106078191
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106059248
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094651
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091551

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide (CID 106077916) is 2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide is CNCC1CCCCN1S(=O)(=O)NCC(C)SC.
What is the InChIKey of 2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
The InChIKey is YUWMUODVUKEGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S2/c1-10(17-3)8-13-18(15,16)14-7-5-4-6-11(14)9-12-2/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide?
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide has a molecular weight of 295.47 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106077916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).