N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine

C12H24N2S — CID 66422522

IUPACN-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine
SMILESCCCN(CCC1CSCCN1)C1CC1
InChIInChI=1S/C12H24N2S/c1-2-7-14(12-3-4-12)8-5-11-10-15-9-6-13-11/h11-13H,2-10H2,1H3
InChIKeyYLQZJYZNUGZBBI-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.96
Rot. Bonds6

About N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine

N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine (PubChem CID 66422522) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine.

Molecular Properties

Compound NameN-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine
PubChem CID66422522
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine
SMILESCCCN(CCC1CSCCN1)C1CC1
InChIInChI=1S/C12H24N2S/c1-2-7-14(12-3-4-12)8-5-11-10-15-9-6-13-11/h11-13H,2-10H2,1H3
InChIKeyYLQZJYZNUGZBBI-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine
CID 66422757
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131
N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
N,N-diethyl-1-(thiomorpholin-3-ylmethyl)pyrrolidin-3-amine
CID 82916049
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
3-[2-(5-ethyl-2-methylpiperidin-1-yl)ethyl]thiomorpholine
CID 112734466
N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66422368
3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine
CID 114547193
N-(2-thiomorpholin-3-ylethyl)butan-2-amine
CID 66421926
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline
CID 66419959

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine?
The IUPAC name of N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine (CID 66422522) is N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine.
What is the SMILES notation for N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine?
The canonical SMILES for N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine is CCCN(CCC1CSCCN1)C1CC1.
What is the InChIKey of N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine?
The InChIKey is YLQZJYZNUGZBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-2-7-14(12-3-4-12)8-5-11-10-15-9-6-13-11/h11-13H,2-10H2,1H3.
What are the key properties of N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine?
N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine has a molecular weight of 228.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine is sourced from PubChem (CID 66422522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).