1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine

C11H19NS2 — CID 65132598

IUPAC1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine
SMILESCC(C)(C)SCC(N)Cc1cccs1
InChIInChI=1S/C11H19NS2/c1-11(2,3)14-8-9(12)7-10-5-4-6-13-10/h4-6,9H,7-8,12H2,1-3H3
InChIKeyRMHGFIHWVMYEDO-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.15
Rot. Bonds4

About 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine

1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 65132598) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine
PubChem CID65132598
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine
SMILESCC(C)(C)SCC(N)Cc1cccs1
InChIInChI=1S/C11H19NS2/c1-11(2,3)14-8-9(12)7-10-5-4-6-13-10/h4-6,9H,7-8,12H2,1-3H3
InChIKeyRMHGFIHWVMYEDO-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine 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

(1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-yl)hydrazine
CID 105226579
1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65132452
5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 62604909
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
1-thiophen-2-yltridecan-2-amine
CID 65428259
methyl (3R)-3-amino-4-thiophen-2-ylbutanoate
CID 141263920
1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
CID 66217000
3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine
CID 63085723
ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
CID 177035877
5-methyl-1-thiophen-2-ylhex-5-en-2-amine
CID 114474492
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine (CID 65132598) is 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine is CC(C)(C)SCC(N)Cc1cccs1.
What is the InChIKey of 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is RMHGFIHWVMYEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-11(2,3)14-8-9(12)7-10-5-4-6-13-10/h4-6,9H,7-8,12H2,1-3H3.
What are the key properties of 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine?
1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 65132598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).