CID 59866894

C8H17N2OS — CID 59866894

IUPAC—
SMILESCN(C)CCCSC[CH]C(N)=O
InChIInChI=1S/C8H17N2OS/c1-10(2)5-3-6-12-7-4-8(9)11/h4H,3,5-7H2,1-2H3,(H2,9,11)
InChIKeyDDWPLLHONWGOBP-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.36
Rot. Bonds7

About CID 59866894

CID 59866894 (PubChem CID 59866894) has the molecular formula C8H17N2OS and a molecular weight of 189.30 g/mol.

Molecular Properties

Compound NameCID 59866894
PubChem CID59866894
Molecular FormulaC8H17N2OS
Molecular Weight189.30 g/mol
Exact Mass189.11
IUPAC Name—
SMILESCN(C)CCCSC[CH]C(N)=O
InChIInChI=1S/C8H17N2OS/c1-10(2)5-3-6-12-7-4-8(9)11/h4H,3,5-7H2,1-2H3,(H2,9,11)
InChIKeyDDWPLLHONWGOBP-UHFFFAOYSA-N
XLogP0.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-butan-2-ylsulfanyl-N,N-dimethylpropanamide
CID 20764788
S-(3-aminopropyl) 3-(dimethylamino)propanethioate;dihydrochloride
CID 23187639
3-[3-(Dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 23451991
2-[2-(Dimethylamino)ethylsulfanyl]acetamide
CID 45088714
3-[[2-(Dimethylamino)ethyl]thio]propanamide
CID 55253499
4-(2-Pyrrolidin-1-ylethylsulfanyl)butanamide
CID 57023736
4-[2-(Diethylamino)ethylsulfanyl]butanamide
CID 57089705
4-[2-(Diethylamino)propylsulfanyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of CID 59866894?
The IUPAC name of CID 59866894 (CID 59866894) is not available.
What is the SMILES notation for CID 59866894?
The canonical SMILES for CID 59866894 is CN(C)CCCSC[CH]C(N)=O.
What is the InChIKey of CID 59866894?
The InChIKey is DDWPLLHONWGOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2OS/c1-10(2)5-3-6-12-7-4-8(9)11/h4H,3,5-7H2,1-2H3,(H2,9,11).
What are the key properties of CID 59866894?
CID 59866894 has a molecular weight of 189.30 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59866894 is sourced from PubChem (CID 59866894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).