N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine

C9H19NO2S — CID 103710245

IUPACN-(2-tert-butylsulfonylethyl)prop-2-en-1-amine
SMILESC=CCNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-5-6-10-7-8-13(11,12)9(2,3)4/h5,10H,1,6-8H2,2-4H3
InChIKeyLGOIOKDAICUQRH-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.98
Rot. Bonds5

About N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine

N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine (PubChem CID 103710245) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)prop-2-en-1-amine
PubChem CID103710245
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(2-tert-butylsulfonylethyl)prop-2-en-1-amine
SMILESC=CCNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H19NO2S/c1-5-6-10-7-8-13(11,12)9(2,3)4/h5,10H,1,6-8H2,2-4H3
InChIKeyLGOIOKDAICUQRH-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106723490
2-(2-tert-butylsulfonylethyl)-1-prop-2-enylguanidine
CID 136703895
N-(2-tert-butylsulfonylethyl)-2-cyclopropylsulfonyl-2-methylpropan-1-amine
CID 138577819
2-(2-tert-butylsulfonylethylamino)-N-methylacetamide
CID 106723192
2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
CID 106723195
2-(2-tert-butylsulfonylethyl)-1-prop-2-enylguanidine;hydroiodide
CID 136703894
2-(2-tert-butylsulfonylethyl)-1,1-dimethylhydrazine
CID 106724235
N-(2-tert-butylsulfonylethyl)-2-methylsulfinylpropan-1-amine
CID 106724446
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773
N-(2-tert-butylsulfonylethyl)-3-methylsulfinylbutan-1-amine
CID 106724475

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine (CID 103710245) is N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine is C=CCNCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine?
The InChIKey is LGOIOKDAICUQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-6-10-7-8-13(11,12)9(2,3)4/h5,10H,1,6-8H2,2-4H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine?
N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine is sourced from PubChem (CID 103710245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).