2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol

C8H20N2O3S2 — CID 106157302

IUPAC2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol
SMILESCCCNS(=O)(=O)NC(C)C(CO)SC
InChIInChI=1S/C8H20N2O3S2/c1-4-5-9-15(12,13)10-7(2)8(6-11)14-3/h7-11H,4-6H2,1-3H3
InChIKeyFHWNBUPMZMEGKR-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.07
Rot. Bonds8

About 2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol

2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol (PubChem CID 106157302) has the molecular formula C8H20N2O3S2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol.

Molecular Properties

Compound Name2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol
PubChem CID106157302
Molecular FormulaC8H20N2O3S2
Molecular Weight256.39 g/mol
Exact Mass256.09
IUPAC Name2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol
SMILESCCCNS(=O)(=O)NC(C)C(CO)SC
InChIInChI=1S/C8H20N2O3S2/c1-4-5-9-15(12,13)10-7(2)8(6-11)14-3/h7-11H,4-6H2,1-3H3
InChIKeyFHWNBUPMZMEGKR-UHFFFAOYSA-N
XLogP-0.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol?
The IUPAC name of 2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol (CID 106157302) is 2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol.
What is the SMILES notation for 2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol?
The canonical SMILES for 2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol is CCCNS(=O)(=O)NC(C)C(CO)SC.
What is the InChIKey of 2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol?
The InChIKey is FHWNBUPMZMEGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S2/c1-4-5-9-15(12,13)10-7(2)8(6-11)14-3/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol?
2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol has a molecular weight of 256.39 g/mol, XLogP of -0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol is sourced from PubChem (CID 106157302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).