N-(thiophen-2-ylsulfanylmethyl)propan-2-amine

C8H13NS2 — CID 117032909

IUPACN-(thiophen-2-ylsulfanylmethyl)propan-2-amine
SMILESCC(C)NCSc1cccs1
InChIInChI=1S/C8H13NS2/c1-7(2)9-6-11-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
InChIKeyPUWQNHDXPFQDBA-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.80
Rot. Bonds4

About N-(thiophen-2-ylsulfanylmethyl)propan-2-amine

N-(thiophen-2-ylsulfanylmethyl)propan-2-amine (PubChem CID 117032909) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(thiophen-2-ylsulfanylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylsulfanylmethyl)propan-2-amine
PubChem CID117032909
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC NameN-(thiophen-2-ylsulfanylmethyl)propan-2-amine
SMILESCC(C)NCSc1cccs1
InChIInChI=1S/C8H13NS2/c1-7(2)9-6-11-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
InChIKeyPUWQNHDXPFQDBA-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(thiophen-2-ylsulfanylmethyl)propan-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

2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
CID 64821282
N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine
CID 64612532
N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43427808
N-ethyl-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43286479
(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62578598
2-[(2S)-butan-2-yl]sulfanylthiophene
CID 89122667
2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol
CID 64820619
1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
CID 107511242
2-(2,2-diethoxyethylsulfanyl)thiophene
CID 12623867
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286478

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylsulfanylmethyl)propan-2-amine?
The IUPAC name of N-(thiophen-2-ylsulfanylmethyl)propan-2-amine (CID 117032909) is N-(thiophen-2-ylsulfanylmethyl)propan-2-amine.
What is the SMILES notation for N-(thiophen-2-ylsulfanylmethyl)propan-2-amine?
The canonical SMILES for N-(thiophen-2-ylsulfanylmethyl)propan-2-amine is CC(C)NCSc1cccs1.
What is the InChIKey of N-(thiophen-2-ylsulfanylmethyl)propan-2-amine?
The InChIKey is PUWQNHDXPFQDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-7(2)9-6-11-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3.
What are the key properties of N-(thiophen-2-ylsulfanylmethyl)propan-2-amine?
N-(thiophen-2-ylsulfanylmethyl)propan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylsulfanylmethyl)propan-2-amine is sourced from PubChem (CID 117032909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).