(S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide

C8H15NOS — CID 124566539

IUPAC(S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=C1CCC1
InChIInChI=1S/C8H15NOS/c1-8(2,3)11(10)9-7-5-4-6-7/h4-6H2,1-3H3/t11-/m0/s1
InChIKeyLWVDMDJXXIBEFK-NSHDSACASA-N
MW173.28 g/mol
LogP2.07
Rot. Bonds1

About (S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide

(S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide (PubChem CID 124566539) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is (S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide
PubChem CID124566539
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name(S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=C1CCC1
InChIInChI=1S/C8H15NOS/c1-8(2,3)11(10)9-7-5-4-6-7/h4-6H2,1-3H3/t11-/m0/s1
InChIKeyLWVDMDJXXIBEFK-NSHDSACASA-N
XLogP2.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.07
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)-N-cyclobutylidene-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide (CID 124566539) is (S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N=C1CCC1.
What is the InChIKey of (S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide?
The InChIKey is LWVDMDJXXIBEFK-NSHDSACASA-N. The full InChI is InChI=1S/C8H15NOS/c1-8(2,3)11(10)9-7-5-4-6-7/h4-6H2,1-3H3/t11-/m0/s1.
What are the key properties of (S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide?
(S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide has a molecular weight of 173.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 124566539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).