N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine

C12H17N2PS — CID 11680403

IUPACN-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(c1csc2ccccc12)N(C)C
InChIInChI=1S/C12H17N2PS/c1-13(2)15(14(3)4)11-9-16-12-8-6-5-7-10(11)12/h5-9H,1-4H3
InChIKeyGEAWAQXMDFKQQN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.96
Rot. Bonds3

About N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine

N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine (PubChem CID 11680403) has the molecular formula C12H17N2PS and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine
PubChem CID11680403
Molecular FormulaC12H17N2PS
Molecular Weight252.32 g/mol
Exact Mass252.09
IUPAC NameN-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(c1csc2ccccc12)N(C)C
InChIInChI=1S/C12H17N2PS/c1-13(2)15(14(3)4)11-9-16-12-8-6-5-7-10(11)12/h5-9H,1-4H3
InChIKeyGEAWAQXMDFKQQN-UHFFFAOYSA-N
XLogP2.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzothiophen-3-yl(methyl)cyanamide
CID 117043270
3-methyl-1-benzothiophene;zinc
CID 70563074
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 116914688
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyano-N-methylformamide
CID 115172721
1-benzothiophen-3-yl N,N-dimethylcarbamodithioate
CID 86082755
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
CID 142071955
N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide
CID 115139778
2-(1-benzothiophen-3-yl)ethyl-methylcyanamide
CID 117043578
3-[1-benzothiophen-3-yl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042928
N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
CID 115226761

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine (CID 11680403) is N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine is CN(C)P(c1csc2ccccc12)N(C)C.
What is the InChIKey of N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine?
The InChIKey is GEAWAQXMDFKQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2PS/c1-13(2)15(14(3)4)11-9-16-12-8-6-5-7-10(11)12/h5-9H,1-4H3.
What are the key properties of N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine?
N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 11680403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).