1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide

C13H24N4O2S — CID 106630977

IUPAC1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)N(CC1CCCNC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H24N4O2S/c1-11(2)17(8-12-5-4-6-14-7-12)20(18,19)13-9-16(3)10-15-13/h9-12,14H,4-8H2,1-3H3
InChIKeyQZTGZCKECYDSAO-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.82
Rot. Bonds5

About 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide

1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide (PubChem CID 106630977) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide
PubChem CID106630977
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)N(CC1CCCNC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H24N4O2S/c1-11(2)17(8-12-5-4-6-14-7-12)20(18,19)13-9-16(3)10-15-13/h9-12,14H,4-8H2,1-3H3
InChIKeyQZTGZCKECYDSAO-UHFFFAOYSA-N
XLogP0.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607634
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 106630912
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630934
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607858
5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630942
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 62373282
3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide
CID 106630987

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide (CID 106630977) is 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide is CC(C)N(CC1CCCNC1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is QZTGZCKECYDSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11(2)17(8-12-5-4-6-14-7-12)20(18,19)13-9-16(3)10-15-13/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide?
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 106630977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).