N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C14H21NS2 — CID 107269650

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCSC1(CNC2CCCc3sccc32)CCC1
InChIInChI=1S/C14H21NS2/c1-16-14(7-3-8-14)10-15-12-4-2-5-13-11(12)6-9-17-13/h6,9,12,15H,2-5,7-8,10H2,1H3
InChIKeyIKDPKJALRZMUMD-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.00
Rot. Bonds4

About N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 107269650) has the molecular formula C14H21NS2 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID107269650
Molecular FormulaC14H21NS2
Molecular Weight267.46 g/mol
Exact Mass267.11
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCSC1(CNC2CCCc3sccc32)CCC1
InChIInChI=1S/C14H21NS2/c1-16-14(7-3-8-14)10-15-12-4-2-5-13-11(12)6-9-17-13/h6,9,12,15H,2-5,7-8,10H2,1H3
InChIKeyIKDPKJALRZMUMD-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 107269650) is N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CSC1(CNC2CCCc3sccc32)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is IKDPKJALRZMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS2/c1-16-14(7-3-8-14)10-15-12-4-2-5-13-11(12)6-9-17-13/h6,9,12,15H,2-5,7-8,10H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 267.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 107269650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).