N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C17H27N3O3S — CID 22552051

IUPACN-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)CC1
InChIInChI=1S/C17H27N3O3S/c1-13-5-7-14(8-6-13)19-17(21)16-11-15(12-18-16)24(22,23)20-9-3-2-4-10-20/h11-14,18H,2-10H2,1H3,(H,19,21)
InChIKeyFCWMKZPEHIZUON-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.50
Rot. Bonds4

About N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 22552051) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID22552051
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)CC1
InChIInChI=1S/C17H27N3O3S/c1-13-5-7-14(8-6-13)19-17(21)16-11-15(12-18-16)24(22,23)20-9-3-2-4-10-20/h11-14,18H,2-10H2,1H3,(H,19,21)
InChIKeyFCWMKZPEHIZUON-UHFFFAOYSA-N
XLogP2.50
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 22552051) is N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is CC1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is FCWMKZPEHIZUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13-5-7-14(8-6-13)19-17(21)16-11-15(12-18-16)24(22,23)20-9-3-2-4-10-20/h11-14,18H,2-10H2,1H3,(H,19,21).
What are the key properties of N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 22552051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).