(S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide

C10H19NOS — CID 159372878

IUPAC(S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide
SMILESCC1CC(C=N[S@@](=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NOS/c1-8-5-9(6-8)7-11-13(12)10(2,3)4/h7-9H,5-6H2,1-4H3/t8?,9?,13-/m0/s1
InChIKeyLJYNNMSAOACANM-RPTIHFLNSA-N
MW201.33 g/mol
LogP2.57
Rot. Bonds2

About (S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide

(S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide (PubChem CID 159372878) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is (S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide
PubChem CID159372878
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name(S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide
SMILESCC1CC(C=N[S@@](=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NOS/c1-8-5-9(6-8)7-11-13(12)10(2,3)4/h7-9H,5-6H2,1-4H3/t8?,9?,13-/m0/s1
InChIKeyLJYNNMSAOACANM-RPTIHFLNSA-N
XLogP2.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.57
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 (S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide (CID 159372878) is (S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide is CC1CC(C=N[S@@](=O)C(C)(C)C)C1.
What is the InChIKey of (S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide?
The InChIKey is LJYNNMSAOACANM-RPTIHFLNSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8-5-9(6-8)7-11-13(12)10(2,3)4/h7-9H,5-6H2,1-4H3/t8?,9?,13-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide?
(S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide has a molecular weight of 201.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 159372878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).