N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine

C13H15N3S — CID 107268964

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine
SMILESCSC1(CNc2cnc3ccccc3n2)CC1
InChIInChI=1S/C13H15N3S/c1-17-13(6-7-13)9-15-12-8-14-10-4-2-3-5-11(10)16-12/h2-5,8H,6-7,9H2,1H3,(H,15,16)
InChIKeyVUAHADQEOVYFRW-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.94
Rot. Bonds4

About N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine

N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine (PubChem CID 107268964) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine
PubChem CID107268964
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine
SMILESCSC1(CNc2cnc3ccccc3n2)CC1
InChIInChI=1S/C13H15N3S/c1-17-13(6-7-13)9-15-12-8-14-10-4-2-3-5-11(10)16-12/h2-5,8H,6-7,9H2,1H3,(H,15,16)
InChIKeyVUAHADQEOVYFRW-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylsulfanyloxan-4-yl)methyl]quinoxalin-2-amine
CID 71996040
4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118662
N-[(1-propan-2-ylcyclopropyl)methyl]quinoxalin-2-amine
CID 114114989
4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118314
2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid
CID 81161057
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
N-[(5-methylpyrazin-2-yl)methyl]quinoxalin-2-amine
CID 62846299
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine
CID 107268802
6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine
CID 130506214
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117145

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine (CID 107268964) is N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine is CSC1(CNc2cnc3ccccc3n2)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine?
The InChIKey is VUAHADQEOVYFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-17-13(6-7-13)9-15-12-8-14-10-4-2-3-5-11(10)16-12/h2-5,8H,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine?
N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine has a molecular weight of 245.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 107268964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).