(2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine

C6H14N2S — CID 174321953

IUPAC(2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine
SMILESCC(C)[C@H]1NN(C)CS1
InChIInChI=1S/C6H14N2S/c1-5(2)6-7-8(3)4-9-6/h5-7H,4H2,1-3H3/t6-/m0/s1
InChIKeyIDGJFQGEKQIXIL-LURJTMIESA-N
MW146.26 g/mol
LogP1.11
Rot. Bonds1

About (2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine

(2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine (PubChem CID 174321953) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is (2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine.

Molecular Properties

Compound Name(2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine
PubChem CID174321953
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name(2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine
SMILESCC(C)[C@H]1NN(C)CS1
InChIInChI=1S/C6H14N2S/c1-5(2)6-7-8(3)4-9-6/h5-7H,4H2,1-3H3/t6-/m0/s1
InChIKeyIDGJFQGEKQIXIL-LURJTMIESA-N
XLogP1.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine?
The IUPAC name of (2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine (CID 174321953) is (2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine.
What is the SMILES notation for (2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine?
The canonical SMILES for (2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine is CC(C)[C@H]1NN(C)CS1.
What is the InChIKey of (2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine?
The InChIKey is IDGJFQGEKQIXIL-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2S/c1-5(2)6-7-8(3)4-9-6/h5-7H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine?
(2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine has a molecular weight of 146.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine is sourced from PubChem (CID 174321953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).