(NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide

C6H13NOS — CID 12995916

IUPAC(NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide
SMILESC/C=N/[S@](=O)C(C)(C)C
InChIInChI=1S/C6H13NOS/c1-5-7-9(8)6(2,3)4/h5H,1-4H3/b7-5+/t9-/m1/s1
InChIKeySFPPCFXOSJAOKL-VPIOIWJLSA-N
MW147.24 g/mol
LogP1.54
Rot. Bonds1

About (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide

(NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide (PubChem CID 12995916) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide
PubChem CID12995916
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide
SMILESC/C=N/[S@](=O)C(C)(C)C
InChIInChI=1S/C6H13NOS/c1-5-7-9(8)6(2,3)4/h5H,1-4H3/b7-5+/t9-/m1/s1
InChIKeySFPPCFXOSJAOKL-VPIOIWJLSA-N
XLogP1.54
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide (CID 12995916) is (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide is C/C=N/[S@](=O)C(C)(C)C.
What is the InChIKey of (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide?
The InChIKey is SFPPCFXOSJAOKL-VPIOIWJLSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5-7-9(8)6(2,3)4/h5H,1-4H3/b7-5+/t9-/m1/s1.
What are the key properties of (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide?
(NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide has a molecular weight of 147.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-ethylidene-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 12995916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).