2-methyl-1-(propylamino)propane-2-thiol

C7H17NS — CID 118074642

IUPAC2-methyl-1-(propylamino)propane-2-thiol
SMILESCCCNCC(C)(C)S
InChIInChI=1S/C7H17NS/c1-4-5-8-6-7(2,3)9/h8-9H,4-6H2,1-3H3
InChIKeyHUOOJOHVSXTMFK-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.69
Rot. Bonds4

About 2-methyl-1-(propylamino)propane-2-thiol

2-methyl-1-(propylamino)propane-2-thiol (PubChem CID 118074642) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is 2-methyl-1-(propylamino)propane-2-thiol.

Molecular Properties

Compound Name2-methyl-1-(propylamino)propane-2-thiol
PubChem CID118074642
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name2-methyl-1-(propylamino)propane-2-thiol
SMILESCCCNCC(C)(C)S
InChIInChI=1S/C7H17NS/c1-4-5-8-6-7(2,3)9/h8-9H,4-6H2,1-3H3
InChIKeyHUOOJOHVSXTMFK-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(propylamino)propane-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

2,2-dimethyl-N-propylpropan-1-amine
CID 551573
1-(ethylamino)-2-methylpropane-2-thiol
CID 13049084
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
2,2,4,4-tetramethyl-N-propylpentan-1-amine
CID 177180730
2-methoxy-2-methyl-N-propylpropan-1-amine
CID 62352630
2-methyl-1-[2-[methyl-(2-methyl-2-sulfanylpropyl)amino]ethylamino]propane-2-thiol
CID 10428904
2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol
CID 15635979
2-N-methyl-1-N,2-N'-dipropylpropane-1,2,2-triamine
CID 149112157
3,3-dimethyl-4-(propylamino)butanenitrile
CID 139517943
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
2,2-diethyl-4-methyl-N-propylpentan-1-amine
CID 62724440
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propylamino)propane-2-thiol?
The IUPAC name of 2-methyl-1-(propylamino)propane-2-thiol (CID 118074642) is 2-methyl-1-(propylamino)propane-2-thiol.
What is the SMILES notation for 2-methyl-1-(propylamino)propane-2-thiol?
The canonical SMILES for 2-methyl-1-(propylamino)propane-2-thiol is CCCNCC(C)(C)S.
What is the InChIKey of 2-methyl-1-(propylamino)propane-2-thiol?
The InChIKey is HUOOJOHVSXTMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-5-8-6-7(2,3)9/h8-9H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-(propylamino)propane-2-thiol?
2-methyl-1-(propylamino)propane-2-thiol has a molecular weight of 147.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propylamino)propane-2-thiol is sourced from PubChem (CID 118074642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).