2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol

C18H40N2O2S2 — CID 3052365

IUPAC2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol
SMILESNC(CO)CCSCCCCCCCCCCSCCC(N)CO
InChIInChI=1S/C18H40N2O2S2/c19-17(15-21)9-13-23-11-7-5-3-1-2-4-6-8-12-24-14-10-18(20)16-22/h17-18,21-22H,1-16,19-20H2
InChIKeyZAPWGZLADDRYFG-UHFFFAOYSA-N
MW380.66 g/mol
LogP2.99
Rot. Bonds19

About 2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol

2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol (PubChem CID 3052365) has the molecular formula C18H40N2O2S2 and a molecular weight of 380.66 g/mol. Its IUPAC name is 2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol
PubChem CID3052365
Molecular FormulaC18H40N2O2S2
Molecular Weight380.66 g/mol
Exact Mass380.25
IUPAC Name2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol
SMILESNC(CO)CCSCCCCCCCCCCSCCC(N)CO
InChIInChI=1S/C18H40N2O2S2/c19-17(15-21)9-13-23-11-7-5-3-1-2-4-6-8-12-24-14-10-18(20)16-22/h17-18,21-22H,1-16,19-20H2
InChIKeyZAPWGZLADDRYFG-UHFFFAOYSA-N
XLogP2.99
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,3'-(Butane-1,4-diyldisulfanediyl)bis(2-aminopropan-1-ol)
CID 3052359
3,3'-(Hexane-1,6-diyldisulfanediyl)bis(2-aminopropan-1-ol)
CID 3052360
1-Propanol, 3,3'-(1,8-octanediylbis(thio))bis(2-amino-
CID 3052361
3,3'-(Decane-1,10-diyldisulfanediyl)bis(2-aminopropan-1-ol)
CID 3052362
4,4'-(Hexane-1,6-diyldisulfanediyl)bis(2-aminobutan-1-ol)
CID 3052363
1-Butanol, 4,4'-(1,8-octanediylbis(thio))bis(2-amino-
CID 3052364
2-Amino-4-[2-(3-amino-4-hydroxybutyl)sulfanylethylsulfanyl]butan-1-ol
CID 13051963
2-Amino-4-[5-(3-amino-4-hydroxybutyl)sulfanylpentylsulfanyl]butan-1-ol
CID 13051965
2-Amino-3-hexadecylsulfanylpropan-1-ol
CID 14834982
2-Amino-3-octadecylsulfanylpropan-1-ol
CID 15612255
N-(1-hydroxy-3-octadecylsulfanylpropan-2-yl)methanesulfonamide
CID 20462164
2-Amino-4-[4-(3-amino-4-hydroxybutyl)sulfanylbutylsulfanyl]butan-1-ol
CID 21320403

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol?
The IUPAC name of 2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol (CID 3052365) is 2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol.
What is the SMILES notation for 2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol?
The canonical SMILES for 2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol is NC(CO)CCSCCCCCCCCCCSCCC(N)CO.
What is the InChIKey of 2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol?
The InChIKey is ZAPWGZLADDRYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2S2/c19-17(15-21)9-13-23-11-7-5-3-1-2-4-6-8-12-24-14-10-18(20)16-22/h17-18,21-22H,1-16,19-20H2.
What are the key properties of 2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol?
2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol has a molecular weight of 380.66 g/mol, XLogP of 2.99, 19 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[10-(3-amino-4-hydroxybutyl)sulfanyldecylsulfanyl]butan-1-ol is sourced from PubChem (CID 3052365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).