(2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol

C16H21NOS — CID 87875984

IUPAC(2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol
SMILESN[C@H](CS)CCCCOc1cccc2ccccc12
InChIInChI=1S/C16H21NOS/c17-14(12-19)8-3-4-11-18-16-10-5-7-13-6-1-2-9-15(13)16/h1-2,5-7,9-10,14,19H,3-4,8,11-12,17H2/t14-/m0/s1
InChIKeyCERVXGPVLRRTTQ-AWEZNQCLSA-N
MW275.42 g/mol
LogP3.65
Rot. Bonds7

About (2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol

(2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol (PubChem CID 87875984) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol.

Molecular Properties

Compound Name(2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol
PubChem CID87875984
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol
SMILESN[C@H](CS)CCCCOc1cccc2ccccc12
InChIInChI=1S/C16H21NOS/c17-14(12-19)8-3-4-11-18-16-10-5-7-13-6-1-2-9-15(13)16/h1-2,5-7,9-10,14,19H,3-4,8,11-12,17H2/t14-/m0/s1
InChIKeyCERVXGPVLRRTTQ-AWEZNQCLSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-7-phenoxyheptane-1-thiol
CID 87875923
(2S)-2-amino-6-(2,6-dimethylphenoxy)hexane-1-thiol
CID 87875989
2-amino-6-phenoxyhexane-1-thiol;hydrochloride
CID 10220869
1-(4-methylpentoxy)naphthalene
CID 83168126
1-(3-chloropropoxy)naphthalene
CID 12685615
1-(2-methoxyphenyl)-3-naphthalen-1-yloxypropan-1-amine
CID 19884989
(2S)-2-amino-4-naphthalen-1-yloxybutanamide
CID 174561854
2-(8-naphthalen-1-yloxyoctyl)guanidine
CID 70387704
2-amino-4-naphthalen-1-yloxybutanamide
CID 63040100
1-butoxynaphthalene
CID 13262700
3-methylbuta-1,2-diene;1-pentoxynaphthalene
CID 174706158
2-(3-naphthalen-1-yloxypropoxy)ethanamine
CID 82353335

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol?
The IUPAC name of (2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol (CID 87875984) is (2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol.
What is the SMILES notation for (2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol?
The canonical SMILES for (2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol is N[C@H](CS)CCCCOc1cccc2ccccc12.
What is the InChIKey of (2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol?
The InChIKey is CERVXGPVLRRTTQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21NOS/c17-14(12-19)8-3-4-11-18-16-10-5-7-13-6-1-2-9-15(13)16/h1-2,5-7,9-10,14,19H,3-4,8,11-12,17H2/t14-/m0/s1.
What are the key properties of (2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol?
(2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol has a molecular weight of 275.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-naphthalen-1-yloxyhexane-1-thiol is sourced from PubChem (CID 87875984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).