N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide

C22H29N5O6S — CID 19045558

IUPACN-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
SMILESCn1c(CCNN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc(=O)n(C)c1=O
InChIInChI=1S/C22H29N5O6S/c1-25-16(13-20(29)26(2)21(25)30)6-9-23-27-10-7-22(8-11-27)14-18(28)17-12-15(24-34(3,31)32)4-5-19(17)33-22/h4-5,12-13,23-24H,6-11,14H2,1-3H3
InChIKeyRRNDOGFWPZDEKX-UHFFFAOYSA-N
MW491.57 g/mol
LogP0.00
Rot. Bonds6

About N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide

N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide (PubChem CID 19045558) has the molecular formula C22H29N5O6S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
PubChem CID19045558
Molecular FormulaC22H29N5O6S
Molecular Weight491.57 g/mol
Exact Mass491.18
IUPAC NameN-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide
SMILESCn1c(CCNN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc(=O)n(C)c1=O
InChIInChI=1S/C22H29N5O6S/c1-25-16(13-20(29)26(2)21(25)30)6-9-23-27-10-7-22(8-11-27)14-18(28)17-12-15(24-34(3,31)32)4-5-19(17)33-22/h4-5,12-13,23-24H,6-11,14H2,1-3H3
InChIKeyRRNDOGFWPZDEKX-UHFFFAOYSA-N
XLogP0.00
TPSA131.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The IUPAC name of N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide (CID 19045558) is N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The canonical SMILES for N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide is Cn1c(CCNN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc(=O)n(C)c1=O.
What is the InChIKey of N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
The InChIKey is RRNDOGFWPZDEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O6S/c1-25-16(13-20(29)26(2)21(25)30)6-9-23-27-10-7-22(8-11-27)14-18(28)17-12-15(24-34(3,31)32)4-5-19(17)33-22/h4-5,12-13,23-24H,6-11,14H2,1-3H3.
What are the key properties of N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide?
N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide has a molecular weight of 491.57 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-[2-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)ethylamino]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]methanesulfonamide is sourced from PubChem (CID 19045558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).