4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide

C14H27N3O2S — CID 106325214

IUPAC4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCN1CCSCC1
InChIInChI=1S/C14H27N3O2S/c1-2-3-15-13-11-19-10-12(13)14(18)16-4-5-17-6-8-20-9-7-17/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyVQCIGKJBCZGLPV-UHFFFAOYSA-N
MW301.46 g/mol
LogP0.17
Rot. Bonds7

About 4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide

4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide (PubChem CID 106325214) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide
PubChem CID106325214
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCN1CCSCC1
InChIInChI=1S/C14H27N3O2S/c1-2-3-15-13-11-19-10-12(13)14(18)16-4-5-17-6-8-20-9-7-17/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyVQCIGKJBCZGLPV-UHFFFAOYSA-N
XLogP0.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-(2-morpholin-4-ylethyl)oxolane-3-carboxamide
CID 66260000
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254828
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 113487594
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
4-(propylamino)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
CID 80584794
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255397

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide?
The IUPAC name of 4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide (CID 106325214) is 4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCCN1CCSCC1.
What is the InChIKey of 4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide?
The InChIKey is VQCIGKJBCZGLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-2-3-15-13-11-19-10-12(13)14(18)16-4-5-17-6-8-20-9-7-17/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of 4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide?
4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide has a molecular weight of 301.46 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 106325214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).