(5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

C23H31NOS — CID 138467972

IUPAC(5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](CSc1ccccc1)C2
InChIInChI=1S/C23H31NOS/c24-16-22(6-4-5-13-25)21-12-11-19-14-18(9-10-20(19)15-21)17-26-23-7-2-1-3-8-23/h1-3,7-8,11-12,15,18,22,25H,4-6,9-10,13-14,16-17,24H2/t18-,22+/m1/s1
InChIKeyNHZUFIBZJCSZFG-GCJKJVERSA-N
MW369.57 g/mol
LogP4.79
Rot. Bonds9

About (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

(5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 138467972) has the molecular formula C23H31NOS and a molecular weight of 369.57 g/mol. Its IUPAC name is (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID138467972
Molecular FormulaC23H31NOS
Molecular Weight369.57 g/mol
Exact Mass369.21
IUPAC Name(5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](CSc1ccccc1)C2
InChIInChI=1S/C23H31NOS/c24-16-22(6-4-5-13-25)21-12-11-19-14-18(9-10-20(19)15-21)17-26-23-7-2-1-3-8-23/h1-3,7-8,11-12,15,18,22,25H,4-6,9-10,13-14,16-17,24H2/t18-,22+/m1/s1
InChIKeyNHZUFIBZJCSZFG-GCJKJVERSA-N
XLogP4.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol with MolForge

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Related Compounds

(5R)-6-amino-5-[(6S)-6-(propylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 155097114
(5R)-6-amino-5-[(6S)-6-(butylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467941
(5R)-6-amino-5-[(6S)-6-[(2-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467658
(5S)-6-amino-5-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467951
(5R)-6-amino-5-[(6R)-6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467979
(5R)-6-amino-5-[(6S)-6-(2-propoxyethoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467940
(5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467665
(5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 170025738
(5R)-6-amino-5-[6-[2-(3-methylimidazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 170026125
(5R)-6-amino-5-[(6S)-6-(2-cyclohexyloxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 155097402
3-[[(2R)-6-[(2R)-1-amino-6-hydroxyhexan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-N,N-dimethylbenzamide
CID 138467670
(5S)-6-amino-5-[(6R)-6-[(2-chloro-5-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
CID 138467989

Frequently Asked Questions

What is the IUPAC name of (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 138467972) is (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is NC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](CSc1ccccc1)C2.
What is the InChIKey of (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is NHZUFIBZJCSZFG-GCJKJVERSA-N. The full InChI is InChI=1S/C23H31NOS/c24-16-22(6-4-5-13-25)21-12-11-19-14-18(9-10-20(19)15-21)17-26-23-7-2-1-3-8-23/h1-3,7-8,11-12,15,18,22,25H,4-6,9-10,13-14,16-17,24H2/t18-,22+/m1/s1.
What are the key properties of (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 369.57 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-amino-5-[(6R)-6-(phenylsulfanylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 138467972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).