2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide

C12H22N2O3S — CID 106174800

IUPAC2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide
SMILESNC(=O)C(O)CNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H22N2O3S/c13-11(16)10(15)8-14-9-1-4-17-12(7-9)2-5-18-6-3-12/h9-10,14-15H,1-8H2,(H2,13,16)
InChIKeyFMCVNZQWCLMNIP-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.13
Rot. Bonds4

About 2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide

2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide (PubChem CID 106174800) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide
PubChem CID106174800
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide
SMILESNC(=O)C(O)CNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H22N2O3S/c13-11(16)10(15)8-14-9-1-4-17-12(7-9)2-5-18-6-3-12/h9-10,14-15H,1-8H2,(H2,13,16)
InChIKeyFMCVNZQWCLMNIP-UHFFFAOYSA-N
XLogP-0.13
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106285723
N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 113484095
3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanamide
CID 115894937
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106131335
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)ethoxy]ethanol
CID 79904024
3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
CID 106115395
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol
CID 106129756

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide (CID 106174800) is 2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide is NC(=O)C(O)CNC1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide?
The InChIKey is FMCVNZQWCLMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c13-11(16)10(15)8-14-9-1-4-17-12(7-9)2-5-18-6-3-12/h9-10,14-15H,1-8H2,(H2,13,16).
What are the key properties of 2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide?
2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide has a molecular weight of 274.39 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)propanamide is sourced from PubChem (CID 106174800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).