N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide

C15H31N3O2S — CID 167243582

IUPACN-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide
SMILESCC(C)CNCCN1CCO[C@@H](CN(C)C(=O)C(C)S)C1
InChIInChI=1S/C15H31N3O2S/c1-12(2)9-16-5-6-18-7-8-20-14(11-18)10-17(4)15(19)13(3)21/h12-14,16,21H,5-11H2,1-4H3/t13?,14-/m0/s1
InChIKeyQALGOJDOCIKISB-KZUDCZAMSA-N
MW317.50 g/mol
LogP0.71
Rot. Bonds8

About N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide

N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide (PubChem CID 167243582) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide
PubChem CID167243582
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide
SMILESCC(C)CNCCN1CCO[C@@H](CN(C)C(=O)C(C)S)C1
InChIInChI=1S/C15H31N3O2S/c1-12(2)9-16-5-6-18-7-8-20-14(11-18)10-17(4)15(19)13(3)21/h12-14,16,21H,5-11H2,1-4H3/t13?,14-/m0/s1
InChIKeyQALGOJDOCIKISB-KZUDCZAMSA-N
XLogP0.71
TPSA44.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
N,2-dimethyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 138727851
N,2-dimethyl-N-[(4-propylmorpholin-2-yl)methyl]propanamide
CID 164906952
N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
CID 170064550
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251
N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
CID 169213965
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
N,2-dimethyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 166800661
ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen
CID 171539494
N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane
CID 157327829
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
CID 156795218

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide?
The IUPAC name of N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide (CID 167243582) is N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide?
The canonical SMILES for N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide is CC(C)CNCCN1CCO[C@@H](CN(C)C(=O)C(C)S)C1.
What is the InChIKey of N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide?
The InChIKey is QALGOJDOCIKISB-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-12(2)9-16-5-6-18-7-8-20-14(11-18)10-17(4)15(19)13(3)21/h12-14,16,21H,5-11H2,1-4H3/t13?,14-/m0/s1.
What are the key properties of N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide?
N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide has a molecular weight of 317.50 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide is sourced from PubChem (CID 167243582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).