1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one

C8H15N3O2S — CID 66218972

IUPAC1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one
SMILESCC(N)CSCC(=O)N1CCNC1=O
InChIInChI=1S/C8H15N3O2S/c1-6(9)4-14-5-7(12)11-3-2-10-8(11)13/h6H,2-5,9H2,1H3,(H,10,13)
InChIKeyMTNRQWOUEHZGSB-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.38
Rot. Bonds4

About 1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one

1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one (PubChem CID 66218972) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one
PubChem CID66218972
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one
SMILESCC(N)CSCC(=O)N1CCNC1=O
InChIInChI=1S/C8H15N3O2S/c1-6(9)4-14-5-7(12)11-3-2-10-8(11)13/h6H,2-5,9H2,1H3,(H,10,13)
InChIKeyMTNRQWOUEHZGSB-UHFFFAOYSA-N
XLogP-0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylpropanoic acid
CID 43237236
1-butanoylimidazolidin-2-one
CID 12771230
1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
CID 94217685
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] N'-aminocarbamimidothioate
CID 77061012
2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
1-[2-(4-aminophenyl)sulfanylacetyl]imidazolidin-2-one
CID 43299355
1-[2-(furan-2-ylmethylsulfanyl)acetyl]imidazolidin-2-one
CID 112780791
1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one
CID 79822950
1-[2-[[5-(dimethylamino)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 56825561
1-[2-(3,5-dimethylpiperazin-1-yl)acetyl]imidazolidin-2-one
CID 63872731
1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]imidazolidin-2-one
CID 7820410
2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
CID 9143622

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one (CID 66218972) is 1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one is CC(N)CSCC(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one?
The InChIKey is MTNRQWOUEHZGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6(9)4-14-5-7(12)11-3-2-10-8(11)13/h6H,2-5,9H2,1H3,(H,10,13).
What are the key properties of 1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one?
1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one has a molecular weight of 217.29 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopropylsulfanyl)acetyl]imidazolidin-2-one is sourced from PubChem (CID 66218972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).