N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine

C11H17NOS — CID 158559375

IUPACN-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine
SMILESC=S(=O)(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H17NOS/c1-9(2)10-5-7-11(8-6-10)14(4,13)12-3/h5-9H,4H2,1-3H3,(H,12,13)
InChIKeyJSJWADNRCZRVED-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.02
Rot. Bonds3

About N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine

N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine (PubChem CID 158559375) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine.

Molecular Properties

Compound NameN-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine
PubChem CID158559375
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine
SMILESC=S(=O)(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H17NOS/c1-9(2)10-5-7-11(8-6-10)14(4,13)12-3/h5-9H,4H2,1-3H3,(H,12,13)
InChIKeyJSJWADNRCZRVED-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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potassium 4-propan-2-ylbenzenesulfonamide
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N-[4-(4-propan-2-ylphenyl)sulfonylphenyl]prop-2-enamide
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1-(4-tert-butylphenyl)sulfonyl-4-propan-2-ylbenzene
CID 57430781
(4-propan-2-ylphenyl)sulfonylformyl iodide
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(E)-3-[4-(methylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 25391728
4-propan-2-yl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711635
trifluoromethyl 4-propan-2-ylbenzenesulfonate
CID 175209424
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane
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N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335

Frequently Asked Questions

What is the IUPAC name of N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine?
The IUPAC name of N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine (CID 158559375) is N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine.
What is the SMILES notation for N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine?
The canonical SMILES for N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine is C=S(=O)(NC)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine?
The InChIKey is JSJWADNRCZRVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(2)10-5-7-11(8-6-10)14(4,13)12-3/h5-9H,4H2,1-3H3,(H,12,13).
What are the key properties of N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine?
N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methylidene-oxo-(4-propan-2-ylphenyl)-λ6-sulfanyl]methanamine is sourced from PubChem (CID 158559375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).