CID 59411873

C8H16NOS — CID 59411873

IUPAC—
SMILESCC(=O)[CH]CSCCN(C)C
InChIInChI=1S/C8H16NOS/c1-8(10)4-6-11-7-5-9(2)3/h4H,5-7H2,1-3H3
InChIKeyJWWUCXBWDIVNSP-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.07
Rot. Bonds6

About CID 59411873

CID 59411873 (PubChem CID 59411873) has the molecular formula C8H16NOS and a molecular weight of 174.29 g/mol.

Molecular Properties

Compound NameCID 59411873
PubChem CID59411873
Molecular FormulaC8H16NOS
Molecular Weight174.29 g/mol
Exact Mass174.10
IUPAC Name—
SMILESCC(=O)[CH]CSCCN(C)C
InChIInChI=1S/C8H16NOS/c1-8(10)4-6-11-7-5-9(2)3/h4H,5-7H2,1-3H3
InChIKeyJWWUCXBWDIVNSP-UHFFFAOYSA-N
XLogP1.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 59411887
CID 59411887
2-(dimethylamino)ethylsulfanylmethyl prop-2-enoate
CID 141217441
6-[2-(dimethylamino)ethylsulfanyl]hexanoic acid
CID 57323768
3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide
CID 88553400
(2R)-2-acetamido-3-[2-(dimethylamino)ethylsulfanyl]propanoic acid
CID 107774722
S-[2-(dimethylamino)ethyl] 3-oxobutanethioate
CID 20664905
2-chloroacetic acid;2-(dimethylamino)ethanethiol;2-[2-(dimethylamino)ethylsulfanyl]acetic acid
CID 158077404
2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone
CID 59233390
N-[3-(3-aminopropanoylamino)propyl]-4-[2-(dimethylamino)ethylsulfanyl]butanamide
CID 145262281
CID 59411884
CID 59411884
2-[3-(dimethylamino)propylsulfanyl]ethyl acetate
CID 165003519
2-[[2-[2-(dimethylamino)ethylsulfanyl]acetyl]-(2-propanoyloxyethyl)amino]ethyl propanoate
CID 169015752

Frequently Asked Questions

What is the IUPAC name of CID 59411873?
The IUPAC name of CID 59411873 (CID 59411873) is not available.
What is the SMILES notation for CID 59411873?
The canonical SMILES for CID 59411873 is CC(=O)[CH]CSCCN(C)C.
What is the InChIKey of CID 59411873?
The InChIKey is JWWUCXBWDIVNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NOS/c1-8(10)4-6-11-7-5-9(2)3/h4H,5-7H2,1-3H3.
What are the key properties of CID 59411873?
CID 59411873 has a molecular weight of 174.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59411873 is sourced from PubChem (CID 59411873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).