2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine

C11H23NS — CID 64614042

IUPAC2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(CSC(C)CC)C1CC1
InChIInChI=1S/C11H23NS/c1-4-9(3)13-8-11(12-5-2)10-6-7-10/h9-12H,4-8H2,1-3H3
InChIKeyJNKCAPUIUVPBLT-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds7

About 2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine

2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine (PubChem CID 64614042) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine
PubChem CID64614042
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(CSC(C)CC)C1CC1
InChIInChI=1S/C11H23NS/c1-4-9(3)13-8-11(12-5-2)10-6-7-10/h9-12H,4-8H2,1-3H3
InChIKeyJNKCAPUIUVPBLT-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine
CID 64612798
2-butan-2-ylsulfanyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethylethanamine
CID 79910253
N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64776056
N-[1-cyclopropyl-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107763231
2-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 104755000
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63914297
1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869640
1-(4-butylcyclohexyl)-N-ethylpropan-1-amine
CID 114979356
2-tert-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 65132569
1-butan-2-ylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64614447
1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650644

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine (CID 64614042) is 2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine is CCNC(CSC(C)CC)C1CC1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine?
The InChIKey is JNKCAPUIUVPBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-9(3)13-8-11(12-5-2)10-6-7-10/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine?
2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 64614042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).