ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine

C11H21NOS — CID 169189354

IUPACethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine
SMILESC.CC.CNSc1ccc(OC)cc1
InChIInChI=1S/C8H11NOS.C2H6.CH4/c1-9-11-8-5-3-7(10-2)4-6-8;1-2;/h3-6,9H,1-2H3;1-2H3;1H4
InChIKeyHZSUPOSTXMXUOO-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.58
Rot. Bonds3

About ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine

ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine (PubChem CID 169189354) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine.

Molecular Properties

Compound Nameethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine
PubChem CID169189354
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Nameethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine
SMILESC.CC.CNSc1ccc(OC)cc1
InChIInChI=1S/C8H11NOS.C2H6.CH4/c1-9-11-8-5-3-7(10-2)4-6-8;1-2;/h3-6,9H,1-2H3;1-2H3;1H4
InChIKeyHZSUPOSTXMXUOO-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
7-methoxy-N-[4-(methylaminosulfanyl)phenyl]quinolin-4-amine
CID 168886839
CID 12607295
CID 12607295
CID 154175564
CID 154175564
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate
CID 132582668
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
1-methoxy-4-phenylsulfanyloxysulfanylbenzene
CID 57195769
1-methoxy-4-propan-2-yloxysulfanylbenzene
CID 19844341
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
(4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane
CID 86176309

Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine?
The IUPAC name of ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine (CID 169189354) is ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine.
What is the SMILES notation for ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine?
The canonical SMILES for ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine is C.CC.CNSc1ccc(OC)cc1.
What is the InChIKey of ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine?
The InChIKey is HZSUPOSTXMXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS.C2H6.CH4/c1-9-11-8-5-3-7(10-2)4-6-8;1-2;/h3-6,9H,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine?
ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine has a molecular weight of 215.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine is sourced from PubChem (CID 169189354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).