N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C18H31N3O3S — CID 22552006

IUPACN,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C18H31N3O3S/c1-14(2)12-20(13-15(3)4)18(22)17-10-16(11-19-17)25(23,24)21-8-6-5-7-9-21/h10-11,14-15,19H,5-9,12-13H2,1-4H3
InChIKeyONWXYYRMSBKIJS-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.94
Rot. Bonds7

About N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 22552006) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID22552006
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C18H31N3O3S/c1-14(2)12-20(13-15(3)4)18(22)17-10-16(11-19-17)25(23,24)21-8-6-5-7-9-21/h10-11,14-15,19H,5-9,12-13H2,1-4H3
InChIKeyONWXYYRMSBKIJS-UHFFFAOYSA-N
XLogP2.94
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 22552006) is N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is CC(C)CN(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1.
What is the InChIKey of N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is ONWXYYRMSBKIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-14(2)12-20(13-15(3)4)18(22)17-10-16(11-19-17)25(23,24)21-8-6-5-7-9-21/h10-11,14-15,19H,5-9,12-13H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 369.53 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 22552006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).