N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine

C15H21N3S — CID 103701231

IUPACN-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1nn(C)c2ccccc12
InChIInChI=1S/C15H21N3S/c1-18-14-8-4-3-6-11(14)13(17-18)10-16-12-7-5-9-15(12)19-2/h3-4,6,8,12,15-16H,5,7,9-10H2,1-2H3
InChIKeyJZSTVWHYRNSOTE-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.95
Rot. Bonds4

About N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine

N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103701231) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID103701231
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCc1nn(C)c2ccccc12
InChIInChI=1S/C15H21N3S/c1-18-14-8-4-3-6-11(14)13(17-18)10-16-12-7-5-9-15(12)19-2/h3-4,6,8,12,15-16H,5,7,9-10H2,1-2H3
InChIKeyJZSTVWHYRNSOTE-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine (CID 103701231) is N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine is CSC1CCCC1NCc1nn(C)c2ccccc12.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is JZSTVWHYRNSOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-18-14-8-4-3-6-11(14)13(17-18)10-16-12-7-5-9-15(12)19-2/h3-4,6,8,12,15-16H,5,7,9-10H2,1-2H3.
What are the key properties of N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine?
N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103701231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).