N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine

C17H21NS — CID 80594885

IUPACN-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine
SMILESc1ccc2c(CNCC3CCCCS3)cccc2c1
InChIInChI=1S/C17H21NS/c1-2-10-17-14(6-1)7-5-8-15(17)12-18-13-16-9-3-4-11-19-16/h1-2,5-8,10,16,18H,3-4,9,11-13H2
InChIKeyWEKSSYFPTMAHLF-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.22
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine

N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine (PubChem CID 80594885) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine
PubChem CID80594885
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine
SMILESc1ccc2c(CNCC3CCCCS3)cccc2c1
InChIInChI=1S/C17H21NS/c1-2-10-17-14(6-1)7-5-8-15(17)12-18-13-16-9-3-4-11-19-16/h1-2,5-8,10,16,18H,3-4,9,11-13H2
InChIKeyWEKSSYFPTMAHLF-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80600662
N-[(1-methylindol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107235936
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
1-(thian-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 80594996
methyl 2-[(thian-2-ylmethylamino)methyl]benzoate
CID 80599965
N-(naphthalen-1-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106633869
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 82760463
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600345
N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine
CID 115959439
2-[4-[(thian-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103257966
N-[(3-chlorophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80601357
N-[(3-bromophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80594881

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine (CID 80594885) is N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine is c1ccc2c(CNCC3CCCCS3)cccc2c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine?
The InChIKey is WEKSSYFPTMAHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-2-10-17-14(6-1)7-5-8-15(17)12-18-13-16-9-3-4-11-19-16/h1-2,5-8,10,16,18H,3-4,9,11-13H2.
What are the key properties of N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine?
N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine has a molecular weight of 271.43 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-1-(thian-2-yl)methanamine is sourced from PubChem (CID 80594885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).