(2,2,3,3-tetramethylbutylamino)methanethiol

C9H21NS — CID 115228509

IUPAC(2,2,3,3-tetramethylbutylamino)methanethiol
SMILESCC(C)(C)C(C)(C)CNCS
InChIInChI=1S/C9H21NS/c1-8(2,3)9(4,5)6-10-7-11/h10-11H,6-7H2,1-5H3
InChIKeyOMPOXNBALWJULB-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.54
Rot. Bonds3

About (2,2,3,3-tetramethylbutylamino)methanethiol

(2,2,3,3-tetramethylbutylamino)methanethiol (PubChem CID 115228509) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is (2,2,3,3-tetramethylbutylamino)methanethiol.

Molecular Properties

Compound Name(2,2,3,3-tetramethylbutylamino)methanethiol
PubChem CID115228509
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name(2,2,3,3-tetramethylbutylamino)methanethiol
SMILESCC(C)(C)C(C)(C)CNCS
InChIInChI=1S/C9H21NS/c1-8(2,3)9(4,5)6-10-7-11/h10-11H,6-7H2,1-5H3
InChIKeyOMPOXNBALWJULB-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2,3,3-tetramethylbutyl)methanediamine
CID 115226324
N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine
CID 115215261
2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
CID 138647776
2-(2,2,3,3-tetramethylbutylamino)acetonitrile
CID 115131458
2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol
CID 115135569
2,2,3,3-tetramethylbutylhydrazine
CID 130727218
1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine
CID 115257108
2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
CID 115198913
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,2,3,3-tetramethylbutan-1-amine
CID 115245990
[[2-methyl-2-(2,3,4-trimethylphenyl)propyl]amino]methanethiol
CID 115228629
2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221739
2-tert-butyl-N,N'-bis(methylaminomethyl)-2-[(methylaminomethylamino)methyl]propane-1,3-diamine
CID 161304466

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylbutylamino)methanethiol?
The IUPAC name of (2,2,3,3-tetramethylbutylamino)methanethiol (CID 115228509) is (2,2,3,3-tetramethylbutylamino)methanethiol.
What is the SMILES notation for (2,2,3,3-tetramethylbutylamino)methanethiol?
The canonical SMILES for (2,2,3,3-tetramethylbutylamino)methanethiol is CC(C)(C)C(C)(C)CNCS.
What is the InChIKey of (2,2,3,3-tetramethylbutylamino)methanethiol?
The InChIKey is OMPOXNBALWJULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-8(2,3)9(4,5)6-10-7-11/h10-11H,6-7H2,1-5H3.
What are the key properties of (2,2,3,3-tetramethylbutylamino)methanethiol?
(2,2,3,3-tetramethylbutylamino)methanethiol has a molecular weight of 175.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylbutylamino)methanethiol is sourced from PubChem (CID 115228509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).