N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine

C9H19NOS — CID 58254171

IUPACN-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine
SMILESC=S(C)(=O)NC1CC(C(C)C)C1
InChIInChI=1S/C9H19NOS/c1-7(2)8-5-9(6-8)10-12(3,4)11/h7-9H,3,5-6H2,1-2,4H3,(H,10,11)
InChIKeyNMHVWVACNJOIOV-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.27
Rot. Bonds3

About N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine

N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 58254171) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID58254171
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine
SMILESC=S(C)(=O)NC1CC(C(C)C)C1
InChIInChI=1S/C9H19NOS/c1-7(2)8-5-9(6-8)10-12(3,4)11/h7-9H,3,5-6H2,1-2,4H3,(H,10,11)
InChIKeyNMHVWVACNJOIOV-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine (CID 58254171) is N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine is C=S(C)(=O)NC1CC(C(C)C)C1.
What is the InChIKey of N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is NMHVWVACNJOIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(2)8-5-9(6-8)10-12(3,4)11/h7-9H,3,5-6H2,1-2,4H3,(H,10,11).
What are the key properties of N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine?
N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-methylidene-oxo-λ6-sulfanyl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 58254171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).