N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine

C11H19N2OPS — CID 14913540

IUPACN-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine
SMILESCc1ccccc1SP(=O)(N(C)C)N(C)C
InChIInChI=1S/C11H19N2OPS/c1-10-8-6-7-9-11(10)16-15(14,12(2)3)13(4)5/h6-9H,1-5H3
InChIKeyQPWPJGPVFZNLEL-UHFFFAOYSA-N
MW258.33 g/mol
LogP3.32
Rot. Bonds4

About N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine

N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine (PubChem CID 14913540) has the molecular formula C11H19N2OPS and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine
PubChem CID14913540
Molecular FormulaC11H19N2OPS
Molecular Weight258.33 g/mol
Exact Mass258.10
IUPAC NameN-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine
SMILESCc1ccccc1SP(=O)(N(C)C)N(C)C
InChIInChI=1S/C11H19N2OPS/c1-10-8-6-7-9-11(10)16-15(14,12(2)3)13(4)5/h6-9H,1-5H3
InChIKeyQPWPJGPVFZNLEL-UHFFFAOYSA-N
XLogP3.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl) N,N-dimethylcarbamodithioate
CID 15103810
1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene
CID 166447004
2-methyl-2-[methyl-(2-methylphenyl)sulfanylamino]propanal
CID 144523249
1-isocyanatosulfanyl-2-methylbenzene
CID 22132680
N-[dimethylamino-(2,6-dimethylphenoxy)phosphoryl]-N-methylmethanamine
CID 14824919
2-(2-methylphenyl)sulfanylethenone
CID 139826064
1,2-xylene
CID 173422016
ethane;(2-methylphenyl) thiocyanate
CID 143604497
N-(2-methylphenyl)-N-nitrosonitrous amide
CID 22461816
CID 68562978
CID 68562978
2-(2-methylphenyl)sulfanylpropanoic acid
CID 20985535
2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol
CID 116852358

Frequently Asked Questions

What is the IUPAC name of N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine?
The IUPAC name of N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine (CID 14913540) is N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine is Cc1ccccc1SP(=O)(N(C)C)N(C)C.
What is the InChIKey of N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine?
The InChIKey is QPWPJGPVFZNLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2OPS/c1-10-8-6-7-9-11(10)16-15(14,12(2)3)13(4)5/h6-9H,1-5H3.
What are the key properties of N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine?
N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine has a molecular weight of 258.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-(2-methylphenyl)sulfanylphosphoryl]-N-methylmethanamine is sourced from PubChem (CID 14913540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).