N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide

C12H22N4O2S — CID 106630692

IUPACN-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
SMILESCCCN(CC1CCCCN1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H22N4O2S/c1-2-7-16(9-11-5-3-4-6-14-11)19(17,18)12-8-13-10-15-12/h8,10-11,14H,2-7,9H2,1H3,(H,13,15)
InChIKeyXNAMZPFDPGHDOE-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.95
Rot. Bonds6

About N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide

N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide (PubChem CID 106630692) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
PubChem CID106630692
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
SMILESCCCN(CC1CCCCN1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H22N4O2S/c1-2-7-16(9-11-5-3-4-6-14-11)19(17,18)12-8-13-10-15-12/h8,10-11,14H,2-7,9H2,1H3,(H,13,15)
InChIKeyXNAMZPFDPGHDOE-UHFFFAOYSA-N
XLogP0.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106609971
2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106608449
N-ethyl-N-(piperidin-4-ylmethyl)-1H-imidazole-5-sulfonamide
CID 79716580
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106630606
N-(piperidin-2-ylmethyl)-N-propylcyclohexanesulfonamide
CID 106630664
3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
CID 106630601
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106631158
N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106609083
2-[[cyclopropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106630652
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 79668448
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide (CID 106630692) is N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide is CCCN(CC1CCCCN1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide?
The InChIKey is XNAMZPFDPGHDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-2-7-16(9-11-5-3-4-6-14-11)19(17,18)12-8-13-10-15-12/h8,10-11,14H,2-7,9H2,1H3,(H,13,15).
What are the key properties of N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide?
N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106630692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).