N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide

C15H23N3O3S — CID 60541745

IUPACN-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide
SMILESCC(SCc1cc(=O)n(C)c(=O)n1C)C(=O)NC1CCCC1
InChIInChI=1S/C15H23N3O3S/c1-10(14(20)16-11-6-4-5-7-11)22-9-12-8-13(19)18(3)15(21)17(12)2/h8,10-11H,4-7,9H2,1-3H3,(H,16,20)
InChIKeyIAWFHLNKMAQVDU-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.76
Rot. Bonds5

About N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide

N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide (PubChem CID 60541745) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide
PubChem CID60541745
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide
SMILESCC(SCc1cc(=O)n(C)c(=O)n1C)C(=O)NC1CCCC1
InChIInChI=1S/C15H23N3O3S/c1-10(14(20)16-11-6-4-5-7-11)22-9-12-8-13(19)18(3)15(21)17(12)2/h8,10-11H,4-7,9H2,1-3H3,(H,16,20)
InChIKeyIAWFHLNKMAQVDU-UHFFFAOYSA-N
XLogP0.76
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid
CID 43082977
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
6-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 17426607
2-(2-aminopropylsulfanyl)-N-cyclopentylpropanamide
CID 66219669
(2S)-N-cyclohexyl-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]butanamide
CID 146142658
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 60541932
N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide
CID 60542044
N-cyclopentyl-2-methylsulfanylpropanamide
CID 126996006
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide
CID 60542050
1,3-dimethyl-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanylmethyl]pyrimidine-2,4-dione
CID 95317766

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide?
The IUPAC name of N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide (CID 60541745) is N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide is CC(SCc1cc(=O)n(C)c(=O)n1C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide?
The InChIKey is IAWFHLNKMAQVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10(14(20)16-11-6-4-5-7-11)22-9-12-8-13(19)18(3)15(21)17(12)2/h8,10-11H,4-7,9H2,1-3H3,(H,16,20).
What are the key properties of N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide?
N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide has a molecular weight of 325.43 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 60541745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).