2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol

C7H15NOS — CID 103073312

IUPAC2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CS)CN(C)CCO
InChIInChI=1S/C7H15NOS/c1-7(6-10)5-8(2)3-4-9/h9-10H,1,3-6H2,2H3
InChIKeyBAHHKFJPTIHQAR-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.40
Rot. Bonds5

About 2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol

2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol (PubChem CID 103073312) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
PubChem CID103073312
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CS)CN(C)CCO
InChIInChI=1S/C7H15NOS/c1-7(6-10)5-8(2)3-4-9/h9-10H,1,3-6H2,2H3
InChIKeyBAHHKFJPTIHQAR-UHFFFAOYSA-N
XLogP0.40
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[[butyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073241
2-[[ethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073267
2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol
CID 103067672
2-[pentan-3-yl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
CID 103073427
2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069520
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-(diethylaminomethyl)prop-2-ene-1-thiol
CID 103073208
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
2-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]prop-2-ene-1-thiol
CID 103073354
2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol (CID 103073312) is 2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol is C=C(CS)CN(C)CCO.
What is the InChIKey of 2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol?
The InChIKey is BAHHKFJPTIHQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(6-10)5-8(2)3-4-9/h9-10H,1,3-6H2,2H3.
What are the key properties of 2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol?
2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol has a molecular weight of 161.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103073312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).