1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol

C16H34N2OS — CID 170115847

IUPAC1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol
SMILESCC(C)CCCN1CCO[C@H](CCN(C)CC(C)S)C1
InChIInChI=1S/C16H34N2OS/c1-14(2)6-5-8-18-10-11-19-16(13-18)7-9-17(4)12-15(3)20/h14-16,20H,5-13H2,1-4H3/t15?,16-/m1/s1
InChIKeyOZJIYGMPOAOAQF-OEMAIJDKSA-N
MW302.53 g/mol
LogP2.76
Rot. Bonds9

About 1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol

1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol (PubChem CID 170115847) has the molecular formula C16H34N2OS and a molecular weight of 302.53 g/mol. Its IUPAC name is 1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol.

Molecular Properties

Compound Name1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol
PubChem CID170115847
Molecular FormulaC16H34N2OS
Molecular Weight302.53 g/mol
Exact Mass302.24
IUPAC Name1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol
SMILESCC(C)CCCN1CCO[C@H](CCN(C)CC(C)S)C1
InChIInChI=1S/C16H34N2OS/c1-14(2)6-5-8-18-10-11-19-16(13-18)7-9-17(4)12-15(3)20/h14-16,20H,5-13H2,1-4H3/t15?,16-/m1/s1
InChIKeyOZJIYGMPOAOAQF-OEMAIJDKSA-N
XLogP2.76
TPSA15.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine
CID 170952081
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide
CID 155750800
N-[2-[(2R)-2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 164568142
N-[2-[2-(2-aminoethyl)morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 155750922
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine
CID 161322486
N-[2-[(2R)-2-[2-(ethylamino)ethyl]morpholin-4-yl]ethyl]-N,2-dimethylpropan-1-amine
CID 167191852
N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine
CID 138727292
N,2-dimethyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 138727851

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol?
The IUPAC name of 1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol (CID 170115847) is 1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol.
What is the SMILES notation for 1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol?
The canonical SMILES for 1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol is CC(C)CCCN1CCO[C@H](CCN(C)CC(C)S)C1.
What is the InChIKey of 1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol?
The InChIKey is OZJIYGMPOAOAQF-OEMAIJDKSA-N. The full InChI is InChI=1S/C16H34N2OS/c1-14(2)6-5-8-18-10-11-19-16(13-18)7-9-17(4)12-15(3)20/h14-16,20H,5-13H2,1-4H3/t15?,16-/m1/s1.
What are the key properties of 1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol?
1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol has a molecular weight of 302.53 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol is sourced from PubChem (CID 170115847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).