(5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one

C7H12N2OS — CID 139085548

IUPAC(5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)[C@]1(C)NC(=S)NC1=O
InChIInChI=1S/C7H12N2OS/c1-4(2)7(3)5(10)8-6(11)9-7/h4H,1-3H3,(H2,8,9,10,11)/t7-/m0/s1
InChIKeyFMIPFQXZZDKVTG-ZETCQYMHSA-N
MW172.25 g/mol
LogP0.41
Rot. Bonds1

About (5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one

(5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one (PubChem CID 139085548) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
PubChem CID139085548
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)[C@]1(C)NC(=S)NC1=O
InChIInChI=1S/C7H12N2OS/c1-4(2)7(3)5(10)8-6(11)9-7/h4H,1-3H3,(H2,8,9,10,11)/t7-/m0/s1
InChIKeyFMIPFQXZZDKVTG-ZETCQYMHSA-N
XLogP0.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 16726027
2,2-dimethyl-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-one
CID 130933847
5,5-dipropyl-2-sulfanylideneimidazolidin-4-one
CID 82997958
[6-[(4S)-4-methyl-5-oxo-4-propan-2-ylimidazolidin-2-ylidene]cyclohexa-2,4-dien-1-ylidene]-dioxidoazanium
CID 163144138
9,9-dimethyl-2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one
CID 131166057
5-[(E)-but-1-enyl]-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6434959
7,7-dimethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
CID 115563254
(3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one
CID 165387418
5-but-3-en-2-yl-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033380
CID 131883130
CID 131883130
3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide
CID 82148892
5-(2-methylpropyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3032321

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one (CID 139085548) is (5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one is CC(C)[C@]1(C)NC(=S)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is FMIPFQXZZDKVTG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-4(2)7(3)5(10)8-6(11)9-7/h4H,1-3H3,(H2,8,9,10,11)/t7-/m0/s1.
What are the key properties of (5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one?
(5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 172.25 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 139085548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).