N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine

C8H14N2S — CID 90903169

IUPACN-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine
SMILESCSCCN(C)c1ccc[nH]1
InChIInChI=1S/C8H14N2S/c1-10(6-7-11-2)8-4-3-5-9-8/h3-5,9H,6-7H2,1-2H3
InChIKeyGFXJJYAQTMMCJW-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.81
Rot. Bonds4

About N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine

N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine (PubChem CID 90903169) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine
PubChem CID90903169
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine
SMILESCSCCN(C)c1ccc[nH]1
InChIInChI=1S/C8H14N2S/c1-10(6-7-11-2)8-4-3-5-9-8/h3-5,9H,6-7H2,1-2H3
InChIKeyGFXJJYAQTMMCJW-UHFFFAOYSA-N
XLogP1.81
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminopyrrole
CID 5324781
2-Amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidine-4-thione
CID 21135544
Pyrrolo[2,3-d]pyrimidine-4-thione
CID 5111292
2-Dimethylaminopyrrole
CID 15826366
N-Methyl-1H-pyrrol-2-amine
CID 17805735
Aziridinylazole
CID 20447273
Pyrrolylpyrrole
CID 21863152
Piperazinopyrrole
CID 22181888
2-(Piperidin-1-yl)-pyrrole
CID 22742155
1H-pyrrol-2-ylcyanamide
CID 57061971
Acetylaminoazole
CID 57140748
Guanidinopyrrole
CID 57188296

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine (CID 90903169) is N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine is CSCCN(C)c1ccc[nH]1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine?
The InChIKey is GFXJJYAQTMMCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-10(6-7-11-2)8-4-3-5-9-8/h3-5,9H,6-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine?
N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine has a molecular weight of 170.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-1H-pyrrol-2-amine is sourced from PubChem (CID 90903169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).