ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol

C11H25NS — CID 145357031

IUPACethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol
SMILESC=C(CCC(C)(C)S)NCC.CC
InChIInChI=1S/C9H19NS.C2H6/c1-5-10-8(2)6-7-9(3,4)11;1-2/h10-11H,2,5-7H2,1,3-4H3;1-2H3
InChIKeyMUFJARWOPNIVRR-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.62
Rot. Bonds5

About ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol

ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol (PubChem CID 145357031) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol.

Molecular Properties

Compound Nameethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol
PubChem CID145357031
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Nameethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol
SMILESC=C(CCC(C)(C)S)NCC.CC
InChIInChI=1S/C9H19NS.C2H6/c1-5-10-8(2)6-7-9(3,4)11;1-2/h10-11H,2,5-7H2,1,3-4H3;1-2H3
InChIKeyMUFJARWOPNIVRR-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3,5-trimethylhex-1-en-2-amine
CID 88267663
N,5-dimethylhex-1-en-2-amine
CID 89932207
N-ethyl-4,5-dimethylhex-1-en-2-amine
CID 124198103
5,5-dimethyl-N-propylhex-1-en-2-amine
CID 126704253
5-methyl-N-propan-2-ylhex-1-en-2-amine
CID 129015156
N-but-1-en-2-yl-4-methylpentan-1-amine
CID 129015397
3,5-dimethyl-N-(2-methylbutyl)hex-1-en-2-amine
CID 129035749
2-methyl-N-(3-methylbut-1-en-2-yl)pentan-1-amine
CID 129154963
N-(4-methylpent-1-en-2-yl)hexan-1-amine
CID 129308311
N-butyl-5-methylhex-1-en-2-amine
CID 130383423
6-methyl-5-methylidene-N-pentylhept-1-en-2-amine
CID 130399723
3-methyl-N-propan-2-ylhex-1-en-2-amine
CID 132029526

Frequently Asked Questions

What is the IUPAC name of ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol?
The IUPAC name of ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol (CID 145357031) is ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol.
What is the SMILES notation for ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol?
The canonical SMILES for ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol is C=C(CCC(C)(C)S)NCC.CC.
What is the InChIKey of ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol?
The InChIKey is MUFJARWOPNIVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS.C2H6/c1-5-10-8(2)6-7-9(3,4)11;1-2/h10-11H,2,5-7H2,1,3-4H3;1-2H3.
What are the key properties of ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol?
ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol has a molecular weight of 203.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(ethylamino)-2-methylhex-5-ene-2-thiol is sourced from PubChem (CID 145357031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).