(4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine

C11H24N2O2S — CID 134572952

IUPAC(4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine
SMILESCC(C)C1N(C(C)C)C[C@H](C)N1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-8(2)11-12(9(3)4)7-10(5)13(11)16(6,14)15/h8-11H,7H2,1-6H3/t10-,11?/m0/s1
InChIKeyKDAHAWKKQNLSFA-VUWPPUDQSA-N
MW248.39 g/mol
LogP1.34
Rot. Bonds3

About (4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine

(4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine (PubChem CID 134572952) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine.

Molecular Properties

Compound Name(4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine
PubChem CID134572952
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine
SMILESCC(C)C1N(C(C)C)C[C@H](C)N1S(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-8(2)11-12(9(3)4)7-10(5)13(11)16(6,14)15/h8-11H,7H2,1-6H3/t10-,11?/m0/s1
InChIKeyKDAHAWKKQNLSFA-VUWPPUDQSA-N
XLogP1.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine?
The IUPAC name of (4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine (CID 134572952) is (4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine.
What is the SMILES notation for (4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine?
The canonical SMILES for (4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine is CC(C)C1N(C(C)C)C[C@H](C)N1S(C)(=O)=O.
What is the InChIKey of (4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine?
The InChIKey is KDAHAWKKQNLSFA-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-8(2)11-12(9(3)4)7-10(5)13(11)16(6,14)15/h8-11H,7H2,1-6H3/t10-,11?/m0/s1.
What are the key properties of (4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine?
(4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine has a molecular weight of 248.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-3-methylsulfonyl-1,2-di(propan-2-yl)imidazolidine is sourced from PubChem (CID 134572952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).