N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide

C6H15N2O2PS — CID 20551318

IUPACN-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide
SMILESCCCSP(=O)(NC)N(C)C=O
InChIInChI=1S/C6H15N2O2PS/c1-4-5-12-11(10,7-2)8(3)6-9/h6H,4-5H2,1-3H3,(H,7,10)
InChIKeyMYCWHDDRGXKOQE-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.55
Rot. Bonds6

About N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide

N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide (PubChem CID 20551318) has the molecular formula C6H15N2O2PS and a molecular weight of 210.24 g/mol. Its IUPAC name is N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide.

Molecular Properties

Compound NameN-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide
PubChem CID20551318
Molecular FormulaC6H15N2O2PS
Molecular Weight210.24 g/mol
Exact Mass210.06
IUPAC NameN-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide
SMILESCCCSP(=O)(NC)N(C)C=O
InChIInChI=1S/C6H15N2O2PS/c1-4-5-12-11(10,7-2)8(3)6-9/h6H,4-5H2,1-3H3,(H,7,10)
InChIKeyMYCWHDDRGXKOQE-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide?
The IUPAC name of N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide (CID 20551318) is N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide.
What is the SMILES notation for N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide?
The canonical SMILES for N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide is CCCSP(=O)(NC)N(C)C=O.
What is the InChIKey of N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide?
The InChIKey is MYCWHDDRGXKOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O2PS/c1-4-5-12-11(10,7-2)8(3)6-9/h6H,4-5H2,1-3H3,(H,7,10).
What are the key properties of N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide?
N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide has a molecular weight of 210.24 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]formamide is sourced from PubChem (CID 20551318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).