1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol

C9H21NOS — CID 114494302

IUPAC1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol
SMILESCCC(C)(O)CSCC(C)(C)N
InChIInChI=1S/C9H21NOS/c1-5-9(4,11)7-12-6-8(2,3)10/h11H,5-7,10H2,1-4H3
InChIKeyVATYHTQDADYPPF-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.62
Rot. Bonds5

About 1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol

1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol (PubChem CID 114494302) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol
PubChem CID114494302
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol
SMILESCCC(C)(O)CSCC(C)(C)N
InChIInChI=1S/C9H21NOS/c1-5-9(4,11)7-12-6-8(2,3)10/h11H,5-7,10H2,1-4H3
InChIKeyVATYHTQDADYPPF-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-methylpropyl)sulfanyl-2-methylpropan-2-ol
CID 66229022
1-(2-hydroxyethylsulfanyl)-2-methylbutan-2-ol
CID 114495238
(2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid
CID 104930585
methanamine;2-methylbutan-2-ol
CID 142079467
azane;3-methylpentan-3-ol
CID 87107560
ethyl 3-(2-amino-2-methylpropyl)sulfanylpropanoate
CID 66228269
hafnium;3-methylpentan-3-ol
CID 154175223
2-aminobutan-2-ol;propane
CID 174346487
1-(2-chloroprop-2-enylsulfanyl)-2-methylpropan-2-amine
CID 66229717
1-heptylsulfanyl-2-methylpropan-2-amine
CID 66228782
2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid
CID 114491469
1-(2-fluoroethylsulfanyl)-2-methylpropan-2-amine
CID 80696277

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol?
The IUPAC name of 1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol (CID 114494302) is 1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol is CCC(C)(O)CSCC(C)(C)N.
What is the InChIKey of 1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol?
The InChIKey is VATYHTQDADYPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-5-9(4,11)7-12-6-8(2,3)10/h11H,5-7,10H2,1-4H3.
What are the key properties of 1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol?
1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol has a molecular weight of 191.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 114494302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).