2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile

C10H18N2OS — CID 129238361

IUPAC2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile
SMILESCC(C)(C)SNC(C#N)C1(C)COC1
InChIInChI=1S/C10H18N2OS/c1-9(2,3)14-12-8(5-11)10(4)6-13-7-10/h8,12H,6-7H2,1-4H3
InChIKeyRFDMZRYYYUHGRL-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.95
Rot. Bonds3

About 2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile

2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile (PubChem CID 129238361) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile
PubChem CID129238361
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile
SMILESCC(C)(C)SNC(C#N)C1(C)COC1
InChIInChI=1S/C10H18N2OS/c1-9(2,3)14-12-8(5-11)10(4)6-13-7-10/h8,12H,6-7H2,1-4H3
InChIKeyRFDMZRYYYUHGRL-UHFFFAOYSA-N
XLogP1.95
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile?
The IUPAC name of 2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile (CID 129238361) is 2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile.
What is the SMILES notation for 2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile?
The canonical SMILES for 2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile is CC(C)(C)SNC(C#N)C1(C)COC1.
What is the InChIKey of 2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile?
The InChIKey is RFDMZRYYYUHGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-9(2,3)14-12-8(5-11)10(4)6-13-7-10/h8,12H,6-7H2,1-4H3.
What are the key properties of 2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile?
2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile has a molecular weight of 214.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylamino)-2-(3-methyloxetan-3-yl)acetonitrile is sourced from PubChem (CID 129238361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).