1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol

C10H21NOS — CID 64814258

IUPAC1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol
SMILESCCCCSCC(O)(CN)C1CC1
InChIInChI=1S/C10H21NOS/c1-2-3-6-13-8-10(12,7-11)9-4-5-9/h9,12H,2-8,11H2,1H3
InChIKeyDGDJVXLBTSVFJU-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.62
Rot. Bonds7

About 1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol

1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol (PubChem CID 64814258) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol
PubChem CID64814258
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol
SMILESCCCCSCC(O)(CN)C1CC1
InChIInChI=1S/C10H21NOS/c1-2-3-6-13-8-10(12,7-11)9-4-5-9/h9,12H,2-8,11H2,1H3
InChIKeyDGDJVXLBTSVFJU-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol?
The IUPAC name of 1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol (CID 64814258) is 1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol?
The canonical SMILES for 1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol is CCCCSCC(O)(CN)C1CC1.
What is the InChIKey of 1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol?
The InChIKey is DGDJVXLBTSVFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-3-6-13-8-10(12,7-11)9-4-5-9/h9,12H,2-8,11H2,1H3.
What are the key properties of 1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol?
1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol has a molecular weight of 203.35 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-butylsulfanyl-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 64814258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).