2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol

C10H19NS — CID 103073197

IUPAC2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(CC)CC1CC1
InChIInChI=1S/C10H19NS/c1-3-11(6-9(2)8-12)7-10-4-5-10/h10,12H,2-8H2,1H3
InChIKeyGUAXIYFIGXYGPP-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.20
Rot. Bonds6

About 2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol

2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol (PubChem CID 103073197) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol
PubChem CID103073197
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(CC)CC1CC1
InChIInChI=1S/C10H19NS/c1-3-11(6-9(2)8-12)7-10-4-5-10/h10,12H,2-8H2,1H3
InChIKeyGUAXIYFIGXYGPP-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1-Butylazetidin-3-ylidene)methylsulfanium
CID 142624926
4-[Cyclopropylmethyl(propan-2-yl)amino]but-2-ene-1-thiol
CID 80015517
4-[Cyclopropylmethyl(ethyl)amino]but-2-ene-1-thiol
CID 80018547
4-[Cyclopropylmethyl(propyl)amino]but-2-ene-1-thiol
CID 80020104
4-[Cyclopropylmethyl(methyl)amino]but-2-ene-1-thiol
CID 80026137
2-[[3-(Dimethylamino)propyl-methylamino]methyl]prop-2-ene-1-thiol
CID 103073187
2-[[Methyl-[(2-methylcyclopropyl)methyl]amino]methyl]prop-2-ene-1-thiol
CID 103073190
2-[[Bis(cyclopropylmethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073198
2-(Diethylaminomethyl)prop-2-ene-1-thiol
CID 103073208
2-[(Dipropylamino)methyl]prop-2-ene-1-thiol
CID 103073217
2-[[Methyl(propan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073220
2-[[Butyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073241

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol (CID 103073197) is 2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol is C=C(CS)CN(CC)CC1CC1.
What is the InChIKey of 2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol?
The InChIKey is GUAXIYFIGXYGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-11(6-9(2)8-12)7-10-4-5-10/h10,12H,2-8H2,1H3.
What are the key properties of 2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol?
2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol has a molecular weight of 185.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(ethyl)amino]methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).