ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine

C11H21N2PS — CID 142070609

IUPACethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine
SMILESCC.CCCP(C)SNc1cccnc1
InChIInChI=1S/C9H15N2PS.C2H6/c1-3-7-12(2)13-11-9-5-4-6-10-8-9;1-2/h4-6,8,11H,3,7H2,1-2H3;1-2H3
InChIKeyTULIAALEWYXPBZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.60
Rot. Bonds5

About ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine

ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine (PubChem CID 142070609) has the molecular formula C11H21N2PS and a molecular weight of 244.34 g/mol. Its IUPAC name is ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine.

Molecular Properties

Compound Nameethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine
PubChem CID142070609
Molecular FormulaC11H21N2PS
Molecular Weight244.34 g/mol
Exact Mass244.12
IUPAC Nameethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine
SMILESCC.CCCP(C)SNc1cccnc1
InChIInChI=1S/C9H15N2PS.C2H6/c1-3-7-12(2)13-11-9-5-4-6-10-8-9;1-2/h4-6,8,11H,3,7H2,1-2H3;1-2H3
InChIKeyTULIAALEWYXPBZ-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methylsulfanylpyridin-3-amine
CID 126541026
ethane;N-methylpyridin-3-amine
CID 91430147
N-[(3R)-2-methylpentan-3-yl]pyridin-3-amine
CID 67725342
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
molecular hydrogen;1-(pyridin-3-ylamino)ethanethiol
CID 143056439
azane;N-methylpyridin-3-amine
CID 70247108
N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43190619
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
N-[1-(2-methylpropylsulfanyl)propan-2-yl]pyridin-3-amine
CID 115727204
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
N-(2-methylbutyl)pyridin-3-amine
CID 43200734
2-(pyridin-3-ylamino)acetonitrile
CID 24972763

Frequently Asked Questions

What is the IUPAC name of ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine?
The IUPAC name of ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine (CID 142070609) is ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine.
What is the SMILES notation for ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine?
The canonical SMILES for ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine is CC.CCCP(C)SNc1cccnc1.
What is the InChIKey of ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine?
The InChIKey is TULIAALEWYXPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2PS.C2H6/c1-3-7-12(2)13-11-9-5-4-6-10-8-9;1-2/h4-6,8,11H,3,7H2,1-2H3;1-2H3.
What are the key properties of ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine?
ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine has a molecular weight of 244.34 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[methyl(propyl)phosphanyl]sulfanylpyridin-3-amine is sourced from PubChem (CID 142070609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).