1-amino-3,3-dimethylbutane-2-thiol

C6H15NS — CID 116868560

IUPAC1-amino-3,3-dimethylbutane-2-thiol
SMILESCC(C)(C)C(S)CN
InChIInChI=1S/C6H15NS/c1-6(2,3)5(8)4-7/h5,8H,4,7H2,1-3H3
InChIKeyNILYWACBXLKDPJ-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.29
Rot. Bonds1

About 1-amino-3,3-dimethylbutane-2-thiol

1-amino-3,3-dimethylbutane-2-thiol (PubChem CID 116868560) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 1-amino-3,3-dimethylbutane-2-thiol.

Molecular Properties

Compound Name1-amino-3,3-dimethylbutane-2-thiol
PubChem CID116868560
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name1-amino-3,3-dimethylbutane-2-thiol
SMILESCC(C)(C)C(S)CN
InChIInChI=1S/C6H15NS/c1-6(2,3)5(8)4-7/h5,8H,4,7H2,1-3H3
InChIKeyNILYWACBXLKDPJ-UHFFFAOYSA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-dimethylbutane-2-thiol?
The IUPAC name of 1-amino-3,3-dimethylbutane-2-thiol (CID 116868560) is 1-amino-3,3-dimethylbutane-2-thiol.
What is the SMILES notation for 1-amino-3,3-dimethylbutane-2-thiol?
The canonical SMILES for 1-amino-3,3-dimethylbutane-2-thiol is CC(C)(C)C(S)CN.
What is the InChIKey of 1-amino-3,3-dimethylbutane-2-thiol?
The InChIKey is NILYWACBXLKDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-6(2,3)5(8)4-7/h5,8H,4,7H2,1-3H3.
What are the key properties of 1-amino-3,3-dimethylbutane-2-thiol?
1-amino-3,3-dimethylbutane-2-thiol has a molecular weight of 133.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-dimethylbutane-2-thiol is sourced from PubChem (CID 116868560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).