(4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one

C10H20N2OS — CID 118233052

IUPAC(4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one
SMILESCCCCC(S)C[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C10H20N2OS/c1-3-4-5-8(14)6-9-7(2)11-10(13)12-9/h7-9,14H,3-6H2,1-2H3,(H2,11,12,13)/t7-,8?,9+/m0/s1
InChIKeyDVAQSSJQZWZIKF-UBGVJBJISA-N
MW216.35 g/mol
LogP1.93
Rot. Bonds5

About (4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one

(4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one (PubChem CID 118233052) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one
PubChem CID118233052
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one
SMILESCCCCC(S)C[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C10H20N2OS/c1-3-4-5-8(14)6-9-7(2)11-10(13)12-9/h7-9,14H,3-6H2,1-2H3,(H2,11,12,13)/t7-,8?,9+/m0/s1
InChIKeyDVAQSSJQZWZIKF-UBGVJBJISA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one (CID 118233052) is (4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one is CCCCC(S)C[C@H]1NC(=O)N[C@H]1C.
What is the InChIKey of (4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one?
The InChIKey is DVAQSSJQZWZIKF-UBGVJBJISA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-4-5-8(14)6-9-7(2)11-10(13)12-9/h7-9,14H,3-6H2,1-2H3,(H2,11,12,13)/t7-,8?,9+/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one?
(4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one has a molecular weight of 216.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-(2-sulfanylhexyl)imidazolidin-2-one is sourced from PubChem (CID 118233052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).