1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine

C12H24N2S — CID 115719252

IUPAC1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine
SMILESCC(NCCN1CCSCC1)C1(C)CC1
InChIInChI=1S/C12H24N2S/c1-11(12(2)3-4-12)13-5-6-14-7-9-15-10-8-14/h11,13H,3-10H2,1-2H3
InChIKeyMLKGRSSCKUUEQM-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds5

About 1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine

1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine (PubChem CID 115719252) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine
PubChem CID115719252
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine
SMILESCC(NCCN1CCSCC1)C1(C)CC1
InChIInChI=1S/C12H24N2S/c1-11(12(2)3-4-12)13-5-6-14-7-9-15-10-8-14/h11,13H,3-10H2,1-2H3
InChIKeyMLKGRSSCKUUEQM-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine
CID 62556728
1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine
CID 107459681
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325726
1-(1-methylcyclopropyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717463
2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 106325255
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 103783303
5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324981
1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173711
N-(dicyclopropylmethyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107459702
N-(2-thiomorpholin-4-ylethyl)heptan-3-amine
CID 115719254

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine?
The IUPAC name of 1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine (CID 115719252) is 1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine is CC(NCCN1CCSCC1)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine?
The InChIKey is MLKGRSSCKUUEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-11(12(2)3-4-12)13-5-6-14-7-9-15-10-8-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine?
1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine is sourced from PubChem (CID 115719252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).