N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide

C17H24N4O4S — CID 127047451

IUPACN-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESNCCCS(=O)(=O)N1CCC(NC(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C17H24N4O4S/c18-6-1-9-26(24,25)21-7-4-14(5-8-21)19-17(23)12-2-3-15-13(10-12)11-16(22)20-15/h2-3,10,14H,1,4-9,11,18H2,(H,19,23)(H,20,22)
InChIKeyKTMLCHHLQDOODJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.05
Rot. Bonds6

About N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 127047451) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID127047451
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESNCCCS(=O)(=O)N1CCC(NC(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C17H24N4O4S/c18-6-1-9-26(24,25)21-7-4-14(5-8-21)19-17(23)12-2-3-15-13(10-12)11-16(22)20-15/h2-3,10,14H,1,4-9,11,18H2,(H,19,23)(H,20,22)
InChIKeyKTMLCHHLQDOODJ-UHFFFAOYSA-N
XLogP0.05
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 127047451) is N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide is NCCCS(=O)(=O)N1CCC(NC(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is KTMLCHHLQDOODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c18-6-1-9-26(24,25)21-7-4-14(5-8-21)19-17(23)12-2-3-15-13(10-12)11-16(22)20-15/h2-3,10,14H,1,4-9,11,18H2,(H,19,23)(H,20,22).
What are the key properties of N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 127047451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).