N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23NS — CID 107266111

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCSC1(CNC2CCCc3ccccc32)CCC1
InChIInChI=1S/C16H23NS/c1-18-16(10-5-11-16)12-17-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,6,8,15,17H,4-5,7,9-12H2,1H3
InChIKeyGVFKJYTZDZIEPX-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.94
Rot. Bonds4

About N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107266111) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107266111
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCSC1(CNC2CCCc3ccccc32)CCC1
InChIInChI=1S/C16H23NS/c1-18-16(10-5-11-16)12-17-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,6,8,15,17H,4-5,7,9-12H2,1H3
InChIKeyGVFKJYTZDZIEPX-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107269650
7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107269889
6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107269775
(1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97101812
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide
CID 77071115
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
N-(3-methylsulfanylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63981040
2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol
CID 103784852
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol
CID 81131273

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107266111) is N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CSC1(CNC2CCCc3ccccc32)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GVFKJYTZDZIEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-18-16(10-5-11-16)12-17-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,6,8,15,17H,4-5,7,9-12H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 261.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107266111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).