1-amino-1-dimethylsilylbutane-1-thiol

C6H17NSSi — CID 130705425

IUPAC1-amino-1-dimethylsilylbutane-1-thiol
SMILESCCCC(N)(S)[SiH](C)C
InChIInChI=1S/C6H17NSSi/c1-4-5-6(7,8)9(2)3/h8-9H,4-5,7H2,1-3H3
InChIKeyRHLHWHNPPHGMDY-UHFFFAOYSA-N
MW163.36 g/mol
LogP1.40
Rot. Bonds3

About 1-amino-1-dimethylsilylbutane-1-thiol

1-amino-1-dimethylsilylbutane-1-thiol (PubChem CID 130705425) has the molecular formula C6H17NSSi and a molecular weight of 163.36 g/mol. Its IUPAC name is 1-amino-1-dimethylsilylbutane-1-thiol.

Molecular Properties

Compound Name1-amino-1-dimethylsilylbutane-1-thiol
PubChem CID130705425
Molecular FormulaC6H17NSSi
Molecular Weight163.36 g/mol
Exact Mass163.09
IUPAC Name1-amino-1-dimethylsilylbutane-1-thiol
SMILESCCCC(N)(S)[SiH](C)C
InChIInChI=1S/C6H17NSSi/c1-4-5-6(7,8)9(2)3/h8-9H,4-5,7H2,1-3H3
InChIKeyRHLHWHNPPHGMDY-UHFFFAOYSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-1-dimethylsilylbutane-1-thiol
CID 173239413
heptane-4,4-dithiol
CID 154237484
1,1-bis(sulfanyl)pentane-1,2,2-triol
CID 89422410
hexane-3,3-diamine
CID 18331048
2-propylpentane-1,1,1,2-tetramine
CID 141463069
2-amino-2-sulfanylpentanoate
CID 20849030
(2S)-2-amino-2-(sulfanylmethyl)pentanoic acid
CID 87814836
2-iodopentan-2-amine
CID 144517487
azane;3-ethylhexan-3-amine
CID 18676269
3,3,4-trimethylheptan-4-amine
CID 139427507
4-ethynylheptan-4-amine
CID 3046207
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-dimethylsilylbutane-1-thiol?
The IUPAC name of 1-amino-1-dimethylsilylbutane-1-thiol (CID 130705425) is 1-amino-1-dimethylsilylbutane-1-thiol.
What is the SMILES notation for 1-amino-1-dimethylsilylbutane-1-thiol?
The canonical SMILES for 1-amino-1-dimethylsilylbutane-1-thiol is CCCC(N)(S)[SiH](C)C.
What is the InChIKey of 1-amino-1-dimethylsilylbutane-1-thiol?
The InChIKey is RHLHWHNPPHGMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NSSi/c1-4-5-6(7,8)9(2)3/h8-9H,4-5,7H2,1-3H3.
What are the key properties of 1-amino-1-dimethylsilylbutane-1-thiol?
1-amino-1-dimethylsilylbutane-1-thiol has a molecular weight of 163.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-dimethylsilylbutane-1-thiol is sourced from PubChem (CID 130705425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).