2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide

C12H26N4O2S — CID 106075380

IUPAC2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C12H26N4O2S/c1-13-11-12-7-3-6-10-16(12)19(17,18)14-15-8-4-2-5-9-15/h12-14H,2-11H2,1H3
InChIKeySZJCHOKQODDIKI-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.30
Rot. Bonds5

About 2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide

2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide (PubChem CID 106075380) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
PubChem CID106075380
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC Name2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C12H26N4O2S/c1-13-11-12-7-3-6-10-16(12)19(17,18)14-15-8-4-2-5-9-15/h12-14H,2-11H2,1H3
InChIKeySZJCHOKQODDIKI-UHFFFAOYSA-N
XLogP0.30
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106075381
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106071092
N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070512
1-[1-(2-cyclopropylethylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 112746994
2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091786
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106010976
N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106017718
methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114465274
N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087941
N-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide
CID 114813122

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide (CID 106075380) is 2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide is CNCC1CCCCN1S(=O)(=O)NN1CCCCC1.
What is the InChIKey of 2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide?
The InChIKey is SZJCHOKQODDIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-13-11-12-7-3-6-10-16(12)19(17,18)14-15-8-4-2-5-9-15/h12-14H,2-11H2,1H3.
What are the key properties of 2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide?
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 106075380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).