N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C18H36N4O3S — CID 5090998

IUPACN-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)CC(C)CNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C18H36N4O3S/c1-4-20(5-2)15-16(3)14-19-18(23)17-8-12-22(13-9-17)26(24,25)21-10-6-7-11-21/h16-17H,4-15H2,1-3H3,(H,19,23)
InChIKeyZHTAMGFTFSCDIV-UHFFFAOYSA-N
MW388.58 g/mol
LogP1.13
Rot. Bonds9

About N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5090998) has the molecular formula C18H36N4O3S and a molecular weight of 388.58 g/mol. Its IUPAC name is N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID5090998
Molecular FormulaC18H36N4O3S
Molecular Weight388.58 g/mol
Exact Mass388.25
IUPAC NameN-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)CC(C)CNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C18H36N4O3S/c1-4-20(5-2)15-16(3)14-19-18(23)17-8-12-22(13-9-17)26(24,25)21-10-6-7-11-21/h16-17H,4-15H2,1-3H3,(H,19,23)
InChIKeyZHTAMGFTFSCDIV-UHFFFAOYSA-N
XLogP1.13
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 5090998) is N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is CCN(CC)CC(C)CNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZHTAMGFTFSCDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O3S/c1-4-20(5-2)15-16(3)14-19-18(23)17-8-12-22(13-9-17)26(24,25)21-10-6-7-11-21/h16-17H,4-15H2,1-3H3,(H,19,23).
What are the key properties of N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 388.58 g/mol, XLogP of 1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5090998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).