N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine

C17H23NS — CID 64648285

IUPACN-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine
SMILESCNC(C)CCCCSc1ccc2ccccc2c1
InChIInChI=1S/C17H23NS/c1-14(18-2)7-5-6-12-19-17-11-10-15-8-3-4-9-16(15)13-17/h3-4,8-11,13-14,18H,5-7,12H2,1-2H3
InChIKeyOISXBVMCVGFHHE-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.71
Rot. Bonds7

About N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine

N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine (PubChem CID 64648285) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine.

Molecular Properties

Compound NameN-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine
PubChem CID64648285
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine
SMILESCNC(C)CCCCSc1ccc2ccccc2c1
InChIInChI=1S/C17H23NS/c1-14(18-2)7-5-6-12-19-17-11-10-15-8-3-4-9-16(15)13-17/h3-4,8-11,13-14,18H,5-7,12H2,1-2H3
InChIKeyOISXBVMCVGFHHE-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorobutylsulfanyl)naphthalene
CID 63501641
6-naphthalen-2-ylsulfanylhexan-3-amine
CID 106808319
N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide
CID 120831568
2-hex-5-ynylsulfanylnaphthalene
CID 150332529
1-naphthalen-2-ylsulfanylpentan-3-amine
CID 153445073
6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine
CID 64620891
methyl 6-naphthalen-2-ylsulfanylhexanoate
CID 135366329
5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64622059
2,2-dimethyl-6-naphthalen-2-ylsulfanylhexan-1-amine
CID 106713307
N,2,2-trimethyl-7-phenylsulfanylheptan-3-amine
CID 79223913
5-naphthalen-2-ylsulfanylpentanehydrazide
CID 55213311
2-(2-bromoethylsulfanyl)naphthalene
CID 43519120

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine?
The IUPAC name of N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine (CID 64648285) is N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine.
What is the SMILES notation for N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine?
The canonical SMILES for N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine is CNC(C)CCCCSc1ccc2ccccc2c1.
What is the InChIKey of N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine?
The InChIKey is OISXBVMCVGFHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-14(18-2)7-5-6-12-19-17-11-10-15-8-3-4-9-16(15)13-17/h3-4,8-11,13-14,18H,5-7,12H2,1-2H3.
What are the key properties of N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine?
N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine has a molecular weight of 273.44 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine is sourced from PubChem (CID 64648285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).