CID 157010180

C14H25N2O5S — CID 157010180

IUPAC—
SMILESCCCCCC(O)C(CC=O)SCC([NH2+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C14H26N2O5S/c1-2-3-4-5-11(18)12(6-7-17)22-9-10(15)14(21)16-8-13(19)20/h7,10-12,18H,2-6,8-9,15H2,1H3,(H,16,21)(H,19,20)/q+1/p-1
InChIKeyQSRMQANNUBNKMX-UHFFFAOYSA-M
MW333.43 g/mol
LogP-2.12
Rot. Bonds13

About CID 157010180

CID 157010180 (PubChem CID 157010180) has the molecular formula C14H25N2O5S and a molecular weight of 333.43 g/mol.

Molecular Properties

Compound NameCID 157010180
PubChem CID157010180
Molecular FormulaC14H25N2O5S
Molecular Weight333.43 g/mol
Exact Mass333.15
IUPAC Name—
SMILESCCCCCC(O)C(CC=O)SCC([NH2+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C14H26N2O5S/c1-2-3-4-5-11(18)12(6-7-17)22-9-10(15)14(21)16-8-13(19)20/h7,10-12,18H,2-6,8-9,15H2,1H3,(H,16,21)(H,19,20)/q+1/p-1
InChIKeyQSRMQANNUBNKMX-UHFFFAOYSA-M
XLogP-2.12
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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(9S,10S)-9,10-dihydroxyoctadecanoate
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(2R,3S)-2-hexyl-3-hydroxydecanoate
CID 129320425
3-hydroxyheptadecanal
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magnesium bis(2-(dodecanoylamino)acetate)
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copper bis(2-(octanoylamino)acetate)
CID 88618270
sodium 2-(decanoylamino)acetate
CID 23716190
disodium bis(2-(octadecanoylamino)acetate)
CID 141447181
tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))
CID 173309325
(2R)-2-hydroxyheptanoate
CID 7054559
2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of CID 157010180?
The IUPAC name of CID 157010180 (CID 157010180) is not available.
What is the SMILES notation for CID 157010180?
The canonical SMILES for CID 157010180 is CCCCCC(O)C(CC=O)SCC([NH2+])C(=O)NCC(=O)[O-].
What is the InChIKey of CID 157010180?
The InChIKey is QSRMQANNUBNKMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H26N2O5S/c1-2-3-4-5-11(18)12(6-7-17)22-9-10(15)14(21)16-8-13(19)20/h7,10-12,18H,2-6,8-9,15H2,1H3,(H,16,21)(H,19,20)/q+1/p-1.
What are the key properties of CID 157010180?
CID 157010180 has a molecular weight of 333.43 g/mol, XLogP of -2.12, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157010180 is sourced from PubChem (CID 157010180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).