4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide

C14H24N2O2S — CID 102898079

IUPAC4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CC2CCC3(CCCC3)O2)CCO1
InChIInChI=1S/C14H24N2O2S/c15-13(19)12-10-16(7-8-17-12)9-11-3-6-14(18-11)4-1-2-5-14/h11-12H,1-10H2,(H2,15,19)
InChIKeyLFFRFVLQHJJJRF-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.47
Rot. Bonds3

About 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide

4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide (PubChem CID 102898079) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide
PubChem CID102898079
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CC2CCC3(CCCC3)O2)CCO1
InChIInChI=1S/C14H24N2O2S/c15-13(19)12-10-16(7-8-17-12)9-11-3-6-14(18-11)4-1-2-5-14/h11-12H,1-10H2,(H2,15,19)
InChIKeyLFFRFVLQHJJJRF-UHFFFAOYSA-N
XLogP1.47
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide
CID 102898334
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
CID 102898330
1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137
N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide
CID 102898294
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900770
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
CID 79681740
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 102901027
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 102899408
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 102899235

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide (CID 102898079) is 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide is NC(=S)C1CN(CC2CCC3(CCCC3)O2)CCO1.
What is the InChIKey of 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide?
The InChIKey is LFFRFVLQHJJJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c15-13(19)12-10-16(7-8-17-12)9-11-3-6-14(18-11)4-1-2-5-14/h11-12H,1-10H2,(H2,15,19).
What are the key properties of 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide?
4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide has a molecular weight of 284.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide is sourced from PubChem (CID 102898079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).