N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine

C11H25NS — CID 58200095

IUPACN-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine
SMILESC=S(CNCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H25NS/c1-10(2,3)8-12-9-13(7)11(4,5)6/h12H,7-9H2,1-6H3
InChIKeyCNMOQSJCSLNTBC-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.08
Rot. Bonds3

About N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine

N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine (PubChem CID 58200095) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine
PubChem CID58200095
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine
SMILESC=S(CNCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H25NS/c1-10(2,3)8-12-9-13(7)11(4,5)6/h12H,7-9H2,1-6H3
InChIKeyCNMOQSJCSLNTBC-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.08
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-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine (CID 58200095) is N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine is C=S(CNCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is CNMOQSJCSLNTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-10(2,3)8-12-9-13(7)11(4,5)6/h12H,7-9H2,1-6H3.
What are the key properties of N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine?
N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[tert-butyl(methylidene)-λ4-sulfanyl]methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 58200095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).