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

C11H21NS — CID 103073172

IUPAC2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)CC1CCCC1
InChIInChI=1S/C11H21NS/c1-10(9-13)7-12(2)8-11-5-3-4-6-11/h11,13H,1,3-9H2,2H3
InChIKeyAQHUCPLHXQQKHH-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.59
Rot. Bonds5

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

2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol (PubChem CID 103073172) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
PubChem CID103073172
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)CC1CCCC1
InChIInChI=1S/C11H21NS/c1-10(9-13)7-12(2)8-11-5-3-4-6-11/h11,13H,1,3-9H2,2H3
InChIKeyAQHUCPLHXQQKHH-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.59
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

2-[[methyl(oxan-3-ylmethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073181
N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103070368
N-methyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
CID 79717112
2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
1-[cyclohexylmethyl(methyl)amino]-3-methylbutan-2-one
CID 79395083
N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine
CID 115263271
2-[cyclopentylmethyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86869723
2-[[cyclopentyl(2-methylpropyl)amino]methyl]prop-2-ene-1-thiol
CID 103073510
2-[cyclohexylmethyl(methyl)amino]-N-cyclopentyl-N-cyclopropylacetamide
CID 112841265
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 62862391

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol (CID 103073172) is 2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol is C=C(CS)CN(C)CC1CCCC1.
What is the InChIKey of 2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The InChIKey is AQHUCPLHXQQKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-10(9-13)7-12(2)8-11-5-3-4-6-11/h11,13H,1,3-9H2,2H3.
What are the key properties of 2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol has a molecular weight of 199.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).