2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide

C11H21N5O2S — CID 106016123

IUPAC2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H21N5O2S/c1-12-9-11-4-2-3-5-16(11)19(17,18)15-8-10-6-13-14-7-10/h6-7,11-12,15H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyYXYFYXIPCVYHGF-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.18
Rot. Bonds6

About 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide

2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106016123) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
PubChem CID106016123
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H21N5O2S/c1-12-9-11-4-2-3-5-16(11)19(17,18)15-8-10-6-13-14-7-10/h6-7,11-12,15H,2-5,8-9H2,1H3,(H,13,14)
InChIKeyYXYFYXIPCVYHGF-UHFFFAOYSA-N
XLogP-0.18
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094651
4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106015942
3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63249919
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide
CID 106054632
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218544
1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide
CID 106015962
N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070512
1-[1-(1H-pyrazol-4-ylsulfonyl)azepan-2-yl]propan-2-one
CID 79560351
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide (CID 106016123) is 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide is CNCC1CCCCN1S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is YXYFYXIPCVYHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-12-9-11-4-2-3-5-16(11)19(17,18)15-8-10-6-13-14-7-10/h6-7,11-12,15H,2-5,8-9H2,1H3,(H,13,14).
What are the key properties of 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106016123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).