N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide

About N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide (PubChem CID 146228202) has the molecular formula C21H29FN4O5S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide.

Molecular Properties

Compound Name	N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide
PubChem CID	146228202
Molecular Formula	C21H29FN4O5S
Molecular Weight	468.55 g/mol
Exact Mass	468.18
IUPAC Name	N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide
SMILES	C[C@@H](NS(=O)(=O)CCN1CCC2(CC1)NC(=O)NC2=O)c1ccc(F)c(OCC2CC2)c1
InChI	InChI=1S/C21H29FN4O5S/c1-14(16-4-5-17(22)18(12-16)31-13-15-2-3-15)25-32(29,30)11-10-26-8-6-21(7-9-26)19(27)23-20(28)24-21/h4-5,12,14-15,25H,2-3,6-11,13H2,1H3,(H2,23,24,27,28)/t14-/m1/s1
InChIKey	UMRWUZBPRPYGEG-CQSZACIVSA-N
XLogP	1.27
TPSA	116.84 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.55
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide?

The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide (CID 146228202) is N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide.

What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide?

The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide is C[C@@H](NS(=O)(=O)CCN1CCC2(CC1)NC(=O)NC2=O)c1ccc(F)c(OCC2CC2)c1.

What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide?

The InChIKey is UMRWUZBPRPYGEG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H29FN4O5S/c1-14(16-4-5-17(22)18(12-16)31-13-15-2-3-15)25-32(29,30)11-10-26-8-6-21(7-9-26)19(27)23-20(28)24-21/h4-5,12,14-15,25H,2-3,6-11,13H2,1H3,(H2,23,24,27,28)/t14-/m1/s1.

What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide?

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide has a molecular weight of 468.55 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)ethanesulfonamide is sourced from PubChem (CID 146228202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).