1-(amino-butylidene-oxo-λ6-sulfanyl)butane

C8H19NOS — CID 54018151

IUPAC1-(amino-butylidene-oxo-λ6-sulfanyl)butane
SMILESCCCC=S(N)(=O)CCCC
InChIInChI=1S/C8H19NOS/c1-3-5-7-11(9,10)8-6-4-2/h7H,3-6,8H2,1-2H3,(H2,9,10)
InChIKeyKXARRCJBWPYGLI-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.55
Rot. Bonds5

About 1-(amino-butylidene-oxo-λ6-sulfanyl)butane

1-(amino-butylidene-oxo-λ6-sulfanyl)butane (PubChem CID 54018151) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 1-(amino-butylidene-oxo-λ6-sulfanyl)butane.

Molecular Properties

Compound Name1-(amino-butylidene-oxo-λ6-sulfanyl)butane
PubChem CID54018151
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name1-(amino-butylidene-oxo-λ6-sulfanyl)butane
SMILESCCCC=S(N)(=O)CCCC
InChIInChI=1S/C8H19NOS/c1-3-5-7-11(9,10)8-6-4-2/h7H,3-6,8H2,1-2H3,(H2,9,10)
InChIKeyKXARRCJBWPYGLI-UHFFFAOYSA-N
XLogP1.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

butane-1-sulfonamide;dihydrochloride
CID 140980497
CID 175918224
CID 175918224
hexane;sulfamide
CID 87750585
pentacosane-1-sulfonamide
CID 149252389
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
(1Z,3E)-1,4-bis(butylsulfonyl)buta-1,3-diene
CID 5286933
(1E,3E)-1,4-bis(butylsulfonyl)buta-1,3-diene
CID 6254835
3-butylsulfonylpropan-1-amine
CID 43615632
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
1-ethylsulfonylsulfonylbutane
CID 141390802
lithium butylsulfonylazanide
CID 141349237
lithium butane-1-sulfonate
CID 23684871

Frequently Asked Questions

What is the IUPAC name of 1-(amino-butylidene-oxo-λ6-sulfanyl)butane?
The IUPAC name of 1-(amino-butylidene-oxo-λ6-sulfanyl)butane (CID 54018151) is 1-(amino-butylidene-oxo-λ6-sulfanyl)butane.
What is the SMILES notation for 1-(amino-butylidene-oxo-λ6-sulfanyl)butane?
The canonical SMILES for 1-(amino-butylidene-oxo-λ6-sulfanyl)butane is CCCC=S(N)(=O)CCCC.
What is the InChIKey of 1-(amino-butylidene-oxo-λ6-sulfanyl)butane?
The InChIKey is KXARRCJBWPYGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-5-7-11(9,10)8-6-4-2/h7H,3-6,8H2,1-2H3,(H2,9,10).
What are the key properties of 1-(amino-butylidene-oxo-λ6-sulfanyl)butane?
1-(amino-butylidene-oxo-λ6-sulfanyl)butane has a molecular weight of 177.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(amino-butylidene-oxo-λ6-sulfanyl)butane is sourced from PubChem (CID 54018151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).