N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine

C8H13NS2 — CID 62578598

IUPACN-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESCNCC(C)Sc1cccs1
InChIInChI=1S/C8H13NS2/c1-7(6-9-2)11-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
InChIKeyPZUUZVDGBYDEDP-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.45
Rot. Bonds4

About N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine

N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine (PubChem CID 62578598) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
PubChem CID62578598
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC NameN-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESCNCC(C)Sc1cccs1
InChIInChI=1S/C8H13NS2/c1-7(6-9-2)11-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
InChIKeyPZUUZVDGBYDEDP-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiophen-2-ylsulfanylpropyl)aniline
CID 62578377
2-[(2S)-butan-2-yl]sulfanylthiophene
CID 89122667
N-tert-butyl-3-methyl-2-thiophen-2-ylsulfanylbutan-1-amine
CID 62578599
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
1-(2-thiophen-2-ylsulfanylpropyl)piperazine
CID 117035710
N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 64614845
2-thiophen-2-ylsulfanylpentan-3-one
CID 64866095
N-(thiophen-2-ylsulfanylmethyl)propan-2-amine
CID 117032909
N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine
CID 64612750
2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine?
The IUPAC name of N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine (CID 62578598) is N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine is CNCC(C)Sc1cccs1.
What is the InChIKey of N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine?
The InChIKey is PZUUZVDGBYDEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-7(6-9-2)11-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3.
What are the key properties of N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine?
N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 62578598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).