2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane

C10H22NO2S- — CID 91586029

IUPAC2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane
SMILESCCC(C)(C)N(S(=O)[O-])C(C)(C)CC
InChIInChI=1S/C10H23NO2S/c1-7-9(3,4)11(14(12)13)10(5,6)8-2/h7-8H2,1-6H3,(H,12,13)/p-1
InChIKeySVQLERPWDMDQKO-UHFFFAOYSA-M
MW220.36 g/mol
LogP2.46
Rot. Bonds5

About 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane

2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane (PubChem CID 91586029) has the molecular formula C10H22NO2S- and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane.

Molecular Properties

Compound Name2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane
PubChem CID91586029
Molecular FormulaC10H22NO2S-
Molecular Weight220.36 g/mol
Exact Mass220.14
IUPAC Name2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane
SMILESCCC(C)(C)N(S(=O)[O-])C(C)(C)CC
InChIInChI=1S/C10H23NO2S/c1-7-9(3,4)11(14(12)13)10(5,6)8-2/h7-8H2,1-6H3,(H,12,13)/p-1
InChIKeySVQLERPWDMDQKO-UHFFFAOYSA-M
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(sulfinato)amino]-2-methylbutane
CID 57321721
6-[3,7-dimethyloctan-3-yl(sulfinato)amino]-2,6-dimethyloctane
CID 91802071
CID 174084849
CID 174084849
CID 101012974
CID 101012974
3-ethyl-2,2-dimethylpentane-3-sulfinate
CID 57421679
propane sulfite
CID 21270602
1,1-diaminoethanesulfinate
CID 90404877
1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane
CID 162617772
N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine
CID 163431704
[methyl(sulfinato)amino]methane
CID 6415703
CID 149250481
CID 149250481
3-ethyl-3-[(3-ethyl-2,2-dimethylpentan-3-yl)-sulfinoamino]-2,2-dimethylpentane
CID 91206934

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane?
The IUPAC name of 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane (CID 91586029) is 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane.
What is the SMILES notation for 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane?
The canonical SMILES for 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane is CCC(C)(C)N(S(=O)[O-])C(C)(C)CC.
What is the InChIKey of 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane?
The InChIKey is SVQLERPWDMDQKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23NO2S/c1-7-9(3,4)11(14(12)13)10(5,6)8-2/h7-8H2,1-6H3,(H,12,13)/p-1.
What are the key properties of 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane?
2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane has a molecular weight of 220.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-methylbutan-2-yl(sulfinato)amino]butane is sourced from PubChem (CID 91586029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).