1-(ethylamino)-2-methylpropane-2-thiol

C6H15NS — CID 13049084

IUPAC1-(ethylamino)-2-methylpropane-2-thiol
SMILESCCNCC(C)(C)S
InChIInChI=1S/C6H15NS/c1-4-7-5-6(2,3)8/h7-8H,4-5H2,1-3H3
InChIKeyPNRRTCNUQJLBDE-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.30
Rot. Bonds3

About 1-(ethylamino)-2-methylpropane-2-thiol

1-(ethylamino)-2-methylpropane-2-thiol (PubChem CID 13049084) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 1-(ethylamino)-2-methylpropane-2-thiol.

Molecular Properties

Compound Name1-(ethylamino)-2-methylpropane-2-thiol
PubChem CID13049084
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name1-(ethylamino)-2-methylpropane-2-thiol
SMILESCCNCC(C)(C)S
InChIInChI=1S/C6H15NS/c1-4-7-5-6(2,3)8/h7-8H,4-5H2,1-3H3
InChIKeyPNRRTCNUQJLBDE-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(ethylamino)-2-methylpropane-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

2-methyl-1-(propylamino)propane-2-thiol
CID 118074642
2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol
CID 15635979
(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine
CID 155370446
1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
N-ethyl-2,2,4,4-tetramethylpentan-1-amine
CID 142123561
N-ethyl-2,2,2-trifluoroethanamine
CID 12769779
1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 134313991
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 146248092
N-ethyl-2-methyl-2-(2-methylbutan-2-yloxy)propan-1-amine
CID 62353804
N-ethyl-2-methoxy-2-methylpropan-1-amine;molecular hydrogen
CID 165411003
2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol
CID 10428904

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-methylpropane-2-thiol?
The IUPAC name of 1-(ethylamino)-2-methylpropane-2-thiol (CID 13049084) is 1-(ethylamino)-2-methylpropane-2-thiol.
What is the SMILES notation for 1-(ethylamino)-2-methylpropane-2-thiol?
The canonical SMILES for 1-(ethylamino)-2-methylpropane-2-thiol is CCNCC(C)(C)S.
What is the InChIKey of 1-(ethylamino)-2-methylpropane-2-thiol?
The InChIKey is PNRRTCNUQJLBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-4-7-5-6(2,3)8/h7-8H,4-5H2,1-3H3.
What are the key properties of 1-(ethylamino)-2-methylpropane-2-thiol?
1-(ethylamino)-2-methylpropane-2-thiol has a molecular weight of 133.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-methylpropane-2-thiol is sourced from PubChem (CID 13049084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).