CID 177489628

C6H10NOS — CID 177489628

IUPAC—
SMILES[CH2]C(=S)N1CCOCC1
InChIInChI=1S/C6H10NOS/c1-6(9)7-2-4-8-5-3-7/h1-5H2
InChIKeyUVAGYHFFAAKFRG-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.48
Rot. Bonds

About CID 177489628

CID 177489628 (PubChem CID 177489628) has the molecular formula C6H10NOS and a molecular weight of 144.22 g/mol.

Molecular Properties

Compound NameCID 177489628
PubChem CID177489628
Molecular FormulaC6H10NOS
Molecular Weight144.22 g/mol
Exact Mass144.05
IUPAC Name—
SMILES[CH2]C(=S)N1CCOCC1
InChIInChI=1S/C6H10NOS/c1-6(9)7-2-4-8-5-3-7/h1-5H2
InChIKeyUVAGYHFFAAKFRG-UHFFFAOYSA-N
XLogP0.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,4,7-trioxa-10-azacyclododecane-10-carbodithioate
CID 58922118
ethane;1-morpholin-4-ylethanethione
CID 142226083
1,3-oxazolidine-3-carbothioamide
CID 57154446
sodium 1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbodithioate
CID 58922103
methyl morpholine-4-carbodithioate
CID 5043631
[2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate
CID 10738700
2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropane-1-thione
CID 11507063
(2E)-3-amino-5-methyl-1-morpholin-4-ylhexa-2,4-diene-1-thione
CID 45118722
N-phenylmorpholine-4-carbothioamide
CID 139054920
N,N-dimethyl-1-morpholin-4-ylethenamine
CID 142039322
zinc bis(1,3-oxazolidine-3-carbodithioate)
CID 21453977

Frequently Asked Questions

What is the IUPAC name of CID 177489628?
The IUPAC name of CID 177489628 (CID 177489628) is not available.
What is the SMILES notation for CID 177489628?
The canonical SMILES for CID 177489628 is [CH2]C(=S)N1CCOCC1.
What is the InChIKey of CID 177489628?
The InChIKey is UVAGYHFFAAKFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NOS/c1-6(9)7-2-4-8-5-3-7/h1-5H2.
What are the key properties of CID 177489628?
CID 177489628 has a molecular weight of 144.22 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177489628 is sourced from PubChem (CID 177489628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).