(2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine

C9H19NOS — CID 102043541

IUPAC(2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine
SMILESCC[C@]1(C)CN1S(=O)C(C)(C)C
InChIInChI=1S/C9H19NOS/c1-6-9(5)7-10(9)12(11)8(2,3)4/h6-7H2,1-5H3/t9-,10?,12?/m1/s1
InChIKeyZOHWCRPIPUXZFT-GRZMOONWSA-N
MW189.32 g/mol
LogP1.93
Rot. Bonds2

About (2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine

(2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine (PubChem CID 102043541) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine.

Molecular Properties

Compound Name(2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine
PubChem CID102043541
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine
SMILESCC[C@]1(C)CN1S(=O)C(C)(C)C
InChIInChI=1S/C9H19NOS/c1-6-9(5)7-10(9)12(11)8(2,3)4/h6-7H2,1-5H3/t9-,10?,12?/m1/s1
InChIKeyZOHWCRPIPUXZFT-GRZMOONWSA-N
XLogP1.93
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine?
The IUPAC name of (2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine (CID 102043541) is (2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine.
What is the SMILES notation for (2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine?
The canonical SMILES for (2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine is CC[C@]1(C)CN1S(=O)C(C)(C)C.
What is the InChIKey of (2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine?
The InChIKey is ZOHWCRPIPUXZFT-GRZMOONWSA-N. The full InChI is InChI=1S/C9H19NOS/c1-6-9(5)7-10(9)12(11)8(2,3)4/h6-7H2,1-5H3/t9-,10?,12?/m1/s1.
What are the key properties of (2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine?
(2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine has a molecular weight of 189.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butylsulfinyl-2-ethyl-2-methylaziridine is sourced from PubChem (CID 102043541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).