N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide

C9H13N3OS — CID 173278846

IUPACN-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide
SMILESCOc1ccccc1N(C=S)N(C)N
InChIInChI=1S/C9H13N3OS/c1-11(10)12(7-14)8-5-3-4-6-9(8)13-2/h3-7H,10H2,1-2H3
InChIKeyIUAAJNWECSMVKH-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.18
Rot. Bonds4

About N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide

N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide (PubChem CID 173278846) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide.

Molecular Properties

Compound NameN-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide
PubChem CID173278846
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide
SMILESCOc1ccccc1N(C=S)N(C)N
InChIInChI=1S/C9H13N3OS/c1-11(10)12(7-14)8-5-3-4-6-9(8)13-2/h3-7H,10H2,1-2H3
InChIKeyIUAAJNWECSMVKH-UHFFFAOYSA-N
XLogP1.18
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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N-(2-methoxyphenyl)acetohydrazide
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N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
1-(dimethylamino)-1-(2-methoxyphenyl)urea
CID 67588036
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
CID 62483741
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
CID 76944433
2-methoxy-N-methyl-N-propylaniline
CID 23198488
N-(2-methoxyphenyl)-N-methylmethanesulfonamide
CID 61061885
N,N-bis(2-methoxyphenyl)methanimidamide
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N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552

Frequently Asked Questions

What is the IUPAC name of N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide?
The IUPAC name of N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide (CID 173278846) is N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide.
What is the SMILES notation for N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide?
The canonical SMILES for N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide is COc1ccccc1N(C=S)N(C)N.
What is the InChIKey of N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide?
The InChIKey is IUAAJNWECSMVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-11(10)12(7-14)8-5-3-4-6-9(8)13-2/h3-7H,10H2,1-2H3.
What are the key properties of N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide?
N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide has a molecular weight of 211.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(methyl)amino]-N-(2-methoxyphenyl)methanethioamide is sourced from PubChem (CID 173278846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).