N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine

C9H13NS2 — CID 117034892

IUPACN-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine
SMILESCNCC1(Sc2cccs2)CC1
InChIInChI=1S/C9H13NS2/c1-10-7-9(4-5-9)12-8-3-2-6-11-8/h2-3,6,10H,4-5,7H2,1H3
InChIKeyCQIAGRFQJSLYOO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.59
Rot. Bonds4

About N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine

N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine (PubChem CID 117034892) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine
PubChem CID117034892
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC NameN-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine
SMILESCNCC1(Sc2cccs2)CC1
InChIInChI=1S/C9H13NS2/c1-10-7-9(4-5-9)12-8-3-2-6-11-8/h2-3,6,10H,4-5,7H2,1H3
InChIKeyCQIAGRFQJSLYOO-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034869
N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62578598
1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034879
N-methyl-1-(1-thiophen-2-ylsulfonylcyclobutyl)methanamine
CID 117037507
N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine
CID 116912556
1-(thiophen-2-ylsulfanylmethyl)cyclopentan-1-ol
CID 65212586
N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 106318625
N-methyl-3-thiophen-2-ylsulfanylaniline
CID 117033150
1-(3,3-dipropyl-1-thiophen-2-ylcyclobutyl)-N-methylmethanamine
CID 65005147
N-(thiophen-2-ylsulfanylmethyl)propan-2-amine
CID 117032909
4-methyl-N-thiophen-2-ylsulfanylaniline
CID 142220690
2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene
CID 65001558

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine?
The IUPAC name of N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine (CID 117034892) is N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine?
The canonical SMILES for N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine is CNCC1(Sc2cccs2)CC1.
What is the InChIKey of N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine?
The InChIKey is CQIAGRFQJSLYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-10-7-9(4-5-9)12-8-3-2-6-11-8/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine?
N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine has a molecular weight of 199.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine is sourced from PubChem (CID 117034892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).