1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine

C13H27N3OS — CID 114173708

IUPAC1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
SMILESCC(CC1COCCN1)NCCN1CCSCC1
InChIInChI=1S/C13H27N3OS/c1-12(10-13-11-17-7-3-15-13)14-2-4-16-5-8-18-9-6-16/h12-15H,2-11H2,1H3
InChIKeyOADNTNAGYFPYJA-UHFFFAOYSA-N
MW273.45 g/mol
LogP0.39
Rot. Bonds6

About 1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine

1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine (PubChem CID 114173708) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is 1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
PubChem CID114173708
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC Name1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
SMILESCC(CC1COCCN1)NCCN1CCSCC1
InChIInChI=1S/C13H27N3OS/c1-12(10-13-11-17-7-3-15-13)14-2-4-16-5-8-18-9-6-16/h12-15H,2-11H2,1H3
InChIKeyOADNTNAGYFPYJA-UHFFFAOYSA-N
XLogP0.39
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541011
N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine
CID 113461930
N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 113481318
N-[3-(2-methoxyethoxy)propyl]-1-morpholin-3-ylpropan-2-amine
CID 113461867
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79539939
1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
CID 79560062
3-(2-methylpropyl)morpholine
CID 20811826
3-ethyl-1-(1-morpholin-3-ylpropan-2-ylamino)pentan-2-ol
CID 106284470
4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 106124715
tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate
CID 107246908
3-[2-(azetidin-1-yl)propyl]morpholine
CID 130548634
4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181230

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
The IUPAC name of 1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine (CID 114173708) is 1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine.
What is the SMILES notation for 1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
The canonical SMILES for 1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine is CC(CC1COCCN1)NCCN1CCSCC1.
What is the InChIKey of 1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
The InChIKey is OADNTNAGYFPYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-12(10-13-11-17-7-3-15-13)14-2-4-16-5-8-18-9-6-16/h12-15H,2-11H2,1H3.
What are the key properties of 1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine?
1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine has a molecular weight of 273.45 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 114173708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).