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

C9H17NOS — CID 118440743

IUPAC(NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/C1CCC1
InChIInChI=1S/C9H17NOS/c1-9(2,3)12(11)10-7-8-5-4-6-8/h7-8H,4-6H2,1-3H3/b10-7+/t12-/m1/s1
InChIKeyIVPDZAGNBRQAIK-OFFHKIPUSA-N
MW187.31 g/mol
LogP2.32
Rot. Bonds2

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

(NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide (PubChem CID 118440743) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is (NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide
PubChem CID118440743
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name(NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/C1CCC1
InChIInChI=1S/C9H17NOS/c1-9(2,3)12(11)10-7-8-5-4-6-8/h7-8H,4-6H2,1-3H3/b10-7+/t12-/m1/s1
InChIKeyIVPDZAGNBRQAIK-OFFHKIPUSA-N
XLogP2.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.32
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-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide (CID 118440743) is (NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/C1CCC1.
What is the InChIKey of (NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is IVPDZAGNBRQAIK-OFFHKIPUSA-N. The full InChI is InChI=1S/C9H17NOS/c1-9(2,3)12(11)10-7-8-5-4-6-8/h7-8H,4-6H2,1-3H3/b10-7+/t12-/m1/s1.
What are the key properties of (NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide?
(NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 187.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118440743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).