[dimethylamino-(4-methylphenyl)methyl]-oxosulfanium

C10H14NOS+ — CID 19813751

IUPAC[dimethylamino-(4-methylphenyl)methyl]-oxosulfanium
SMILESCc1ccc(C([S+]=O)N(C)C)cc1
InChIInChI=1S/C10H14NOS/c1-8-4-6-9(7-5-8)10(13-12)11(2)3/h4-7,10H,1-3H3/q+1
InChIKeyHNABWVUPKYCNPO-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.98
Rot. Bonds3

About [dimethylamino-(4-methylphenyl)methyl]-oxosulfanium

[dimethylamino-(4-methylphenyl)methyl]-oxosulfanium (PubChem CID 19813751) has the molecular formula C10H14NOS+ and a molecular weight of 196.29 g/mol. Its IUPAC name is [dimethylamino-(4-methylphenyl)methyl]-oxosulfanium.

Molecular Properties

Compound Name[dimethylamino-(4-methylphenyl)methyl]-oxosulfanium
PubChem CID19813751
Molecular FormulaC10H14NOS+
Molecular Weight196.29 g/mol
Exact Mass196.08
IUPAC Name[dimethylamino-(4-methylphenyl)methyl]-oxosulfanium
SMILESCc1ccc(C([S+]=O)N(C)C)cc1
InChIInChI=1S/C10H14NOS/c1-8-4-6-9(7-5-8)10(13-12)11(2)3/h4-7,10H,1-3H3/q+1
InChIKeyHNABWVUPKYCNPO-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-(4-methylphenyl)-1-phenylmethanamine
CID 102196523
(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 118026515
4-(dimethylamino)-4-(4-methylphenyl)butan-2-one
CID 82126356
[fluoro-(4-methylphenyl)methyl]phosphane
CID 144982397
N,N,N',N',N",N"-hexamethylmethanetriamine;4-methylbenzenesulfonic acid
CID 90668256
2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine
CID 11009737
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
N-methyl-N-[(4-methylphenyl)-sulfanylmethyl]hydroxylamine
CID 5256280
N,N-dimethyl-2-(4-methylphenyl)propan-1-amine
CID 143373779
2-(4-methylphenyl)propanoyl chloride
CID 14946079
2-(4-methylphenyl)propanedial
CID 2736930
1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727

Frequently Asked Questions

What is the IUPAC name of [dimethylamino-(4-methylphenyl)methyl]-oxosulfanium?
The IUPAC name of [dimethylamino-(4-methylphenyl)methyl]-oxosulfanium (CID 19813751) is [dimethylamino-(4-methylphenyl)methyl]-oxosulfanium.
What is the SMILES notation for [dimethylamino-(4-methylphenyl)methyl]-oxosulfanium?
The canonical SMILES for [dimethylamino-(4-methylphenyl)methyl]-oxosulfanium is Cc1ccc(C([S+]=O)N(C)C)cc1.
What is the InChIKey of [dimethylamino-(4-methylphenyl)methyl]-oxosulfanium?
The InChIKey is HNABWVUPKYCNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NOS/c1-8-4-6-9(7-5-8)10(13-12)11(2)3/h4-7,10H,1-3H3/q+1.
What are the key properties of [dimethylamino-(4-methylphenyl)methyl]-oxosulfanium?
[dimethylamino-(4-methylphenyl)methyl]-oxosulfanium has a molecular weight of 196.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-(4-methylphenyl)methyl]-oxosulfanium is sourced from PubChem (CID 19813751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).