4-(methyldisulfanyl)butan-1-amine

C5H13NS2 — CID 118258387

IUPAC4-(methyldisulfanyl)butan-1-amine
SMILESCSSCCCCN
InChIInChI=1S/C5H13NS2/c1-7-8-5-3-2-4-6/h2-6H2,1H3
InChIKeyXMQOLTOYTVRKOI-UHFFFAOYSA-N
MW151.30 g/mol
LogP1.74
Rot. Bonds5

About 4-(methyldisulfanyl)butan-1-amine

4-(methyldisulfanyl)butan-1-amine (PubChem CID 118258387) has the molecular formula C5H13NS2 and a molecular weight of 151.30 g/mol. Its IUPAC name is 4-(methyldisulfanyl)butan-1-amine.

Molecular Properties

Compound Name4-(methyldisulfanyl)butan-1-amine
PubChem CID118258387
Molecular FormulaC5H13NS2
Molecular Weight151.30 g/mol
Exact Mass151.05
IUPAC Name4-(methyldisulfanyl)butan-1-amine
SMILESCSSCCCCN
InChIInChI=1S/C5H13NS2/c1-7-8-5-3-2-4-6/h2-6H2,1H3
InChIKeyXMQOLTOYTVRKOI-UHFFFAOYSA-N
XLogP1.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methyldisulfanyl)butanamide
CID 163680091
4-pentylsulfanylbutan-1-amine
CID 82180242
7-ethylsulfanylheptan-1-amine
CID 153391280
hexane-1,6-diamine;methanamine
CID 174275715
11-decylsulfanylundecan-1-amine
CID 71359638
1-(methyldisulfanyl)propane
CID 16592
1-(methyldisulfanyl)-2-[2-(methyldisulfanyl)ethylsulfanyl]ethane
CID 165390493
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
azane;butane-1,4-diamine
CID 87378889
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
butane-1,4-diamine;europium
CID 90401592

Frequently Asked Questions

What is the IUPAC name of 4-(methyldisulfanyl)butan-1-amine?
The IUPAC name of 4-(methyldisulfanyl)butan-1-amine (CID 118258387) is 4-(methyldisulfanyl)butan-1-amine.
What is the SMILES notation for 4-(methyldisulfanyl)butan-1-amine?
The canonical SMILES for 4-(methyldisulfanyl)butan-1-amine is CSSCCCCN.
What is the InChIKey of 4-(methyldisulfanyl)butan-1-amine?
The InChIKey is XMQOLTOYTVRKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS2/c1-7-8-5-3-2-4-6/h2-6H2,1H3.
What are the key properties of 4-(methyldisulfanyl)butan-1-amine?
4-(methyldisulfanyl)butan-1-amine has a molecular weight of 151.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyldisulfanyl)butan-1-amine is sourced from PubChem (CID 118258387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).