2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide

C14H26N4O2S — CID 62066987

IUPAC2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)C2CCCNC2)nc1C
InChIInChI=1S/C14H26N4O2S/c1-4-8-18-10-14(16-12(18)3)21(19,20)17-11(2)13-6-5-7-15-9-13/h10-11,13,15,17H,4-9H2,1-3H3
InChIKeyNTEXOIIVCMFAJH-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.27
Rot. Bonds6

About 2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide

2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide (PubChem CID 62066987) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide
PubChem CID62066987
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)C2CCCNC2)nc1C
InChIInChI=1S/C14H26N4O2S/c1-4-8-18-10-14(16-12(18)3)21(19,20)17-11(2)13-6-5-7-15-9-13/h10-11,13,15,17H,4-9H2,1-3H3
InChIKeyNTEXOIIVCMFAJH-UHFFFAOYSA-N
XLogP1.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
CID 6621960
1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
CID 20856396
1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
4-methyl-1'-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1,4'-bipiperidine
CID 118308389
N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53007816
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine dihydrochloride
CID 165943498
1-[[1-(1,2-Dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine
CID 50848046
5-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201733
N-[1-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 62373927
N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
CID 84591328
N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 84598067
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 86784600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide?
The IUPAC name of 2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide (CID 62066987) is 2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC(C)C2CCCNC2)nc1C.
What is the InChIKey of 2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide?
The InChIKey is NTEXOIIVCMFAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-8-18-10-14(16-12(18)3)21(19,20)17-11(2)13-6-5-7-15-9-13/h10-11,13,15,17H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide?
2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-piperidin-3-ylethyl)-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62066987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).