N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide

C13H25N5O2S — CID 106083500

IUPACN-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCCCC1CNC)c1ncc[nH]1
InChIInChI=1S/C13H25N5O2S/c1-3-12(13-15-7-8-16-13)17-21(19,20)18-9-5-4-6-11(18)10-14-2/h7-8,11-12,14,17H,3-6,9-10H2,1-2H3,(H,15,16)
InChIKeyMKLHSBNOPIMPNG-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.77
Rot. Bonds7

About N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide

N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106083500) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106083500
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCCCC1CNC)c1ncc[nH]1
InChIInChI=1S/C13H25N5O2S/c1-3-12(13-15-7-8-16-13)17-21(19,20)18-9-5-4-6-11(18)10-14-2/h7-8,11-12,14,17H,3-6,9-10H2,1-2H3,(H,15,16)
InChIKeyMKLHSBNOPIMPNG-UHFFFAOYSA-N
XLogP0.77
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
CID 106083491
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 103302482
2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide
CID 106054632
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016123
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094651
N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070512
N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106017718
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 82751229
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087941

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 106083500) is N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide is CCC(NS(=O)(=O)N1CCCCC1CNC)c1ncc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is MKLHSBNOPIMPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-3-12(13-15-7-8-16-13)17-21(19,20)18-9-5-4-6-11(18)10-14-2/h7-8,11-12,14,17H,3-6,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106083500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).