4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol

C11H23NS — CID 145357027

IUPAC4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol
SMILESC=C(CC(CC)CS)NC(C)(C)C
InChIInChI=1S/C11H23NS/c1-6-10(8-13)7-9(2)12-11(3,4)5/h10,12-13H,2,6-8H2,1,3-5H3
InChIKeyVZWHRSLZJMLXHC-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.23
Rot. Bonds5

About 4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol

4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol (PubChem CID 145357027) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol
PubChem CID145357027
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol
SMILESC=C(CC(CC)CS)NC(C)(C)C
InChIInChI=1S/C11H23NS/c1-6-10(8-13)7-9(2)12-11(3,4)5/h10,12-13H,2,6-8H2,1,3-5H3
InChIKeyVZWHRSLZJMLXHC-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol?
The IUPAC name of 4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol (CID 145357027) is 4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol.
What is the SMILES notation for 4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol?
The canonical SMILES for 4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol is C=C(CC(CC)CS)NC(C)(C)C.
What is the InChIKey of 4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol?
The InChIKey is VZWHRSLZJMLXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-6-10(8-13)7-9(2)12-11(3,4)5/h10,12-13H,2,6-8H2,1,3-5H3.
What are the key properties of 4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol?
4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol has a molecular weight of 201.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-ethylpent-4-ene-1-thiol is sourced from PubChem (CID 145357027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).