N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen

C14H32NO4PS — CID 156747547

IUPACN-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen
SMILESCOP(=S)(OCCCCCCNC(=O)C(C)C)OC(C)C.[H][H]
InChIInChI=1S/C14H30NO4PS.H2/c1-12(2)14(16)15-10-8-6-7-9-11-18-20(21,17-5)19-13(3)4;/h12-13H,6-11H2,1-5H3,(H,15,16);1H
InChIKeyPQFFTMKVZOAIRJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.88
Rot. Bonds12

About N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen

N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen (PubChem CID 156747547) has the molecular formula C14H32NO4PS and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen
PubChem CID156747547
Molecular FormulaC14H32NO4PS
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC NameN-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen
SMILESCOP(=S)(OCCCCCCNC(=O)C(C)C)OC(C)C.[H][H]
InChIInChI=1S/C14H30NO4PS.H2/c1-12(2)14(16)15-10-8-6-7-9-11-18-20(21,17-5)19-13(3)4;/h12-13H,6-11H2,1-5H3,(H,15,16);1H
InChIKeyPQFFTMKVZOAIRJ-UHFFFAOYSA-N
XLogP3.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-acetamidohexyl methyl propan-2-yl phosphate;ethane;molecular hydrogen
CID 168888477
N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide
CID 156747435
N-hexadecyl-6-[hydroxy(propan-2-yloxy)phosphinothioyl]oxyhexanamide
CID 177289166
N-hexadecyl-6-[oxido(propan-2-yloxy)phosphinothioyl]oxyhexanamide
CID 177289165
2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
6-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-N-propan-2-ylhexan-1-amine
CID 176838194
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine
CID 177366148

Frequently Asked Questions

What is the IUPAC name of N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen (CID 156747547) is N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen is COP(=S)(OCCCCCCNC(=O)C(C)C)OC(C)C.[H][H].
What is the InChIKey of N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is PQFFTMKVZOAIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO4PS.H2/c1-12(2)14(16)15-10-8-6-7-9-11-18-20(21,17-5)19-13(3)4;/h12-13H,6-11H2,1-5H3,(H,15,16);1H.
What are the key properties of N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen?
N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 341.45 g/mol, XLogP of 3.88, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 156747547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).