N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C17H27N3O3S — CID 24791926

IUPACN-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)C1CCCCC1
InChIInChI=1S/C17H27N3O3S/c1-19(14-8-4-2-5-9-14)17(21)16-12-15(13-18-16)24(22,23)20-10-6-3-7-11-20/h12-14,18H,2-11H2,1H3
InChIKeyMIXVDZKYKQHPME-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.59
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 24791926) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID24791926
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)C1CCCCC1
InChIInChI=1S/C17H27N3O3S/c1-19(14-8-4-2-5-9-14)17(21)16-12-15(13-18-16)24(22,23)20-10-6-3-7-11-20/h12-14,18H,2-11H2,1H3
InChIKeyMIXVDZKYKQHPME-UHFFFAOYSA-N
XLogP2.59
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 24791926) is N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is MIXVDZKYKQHPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-19(14-8-4-2-5-9-14)17(21)16-12-15(13-18-16)24(22,23)20-10-6-3-7-11-20/h12-14,18H,2-11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 24791926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).