(1-amino-2-methylpropan-2-yl)-oxosulfanium

C4H10NOS+ — CID 174552619

IUPAC(1-amino-2-methylpropan-2-yl)-oxosulfanium
SMILESCC(C)(CN)[S+]=O
InChIInChI=1S/C4H10NOS/c1-4(2,3-5)7-6/h3,5H2,1-2H3/q+1
InChIKeyNZIGVMUOZNXAGF-UHFFFAOYSA-N
MW120.20 g/mol
LogP0.15
Rot. Bonds2

About (1-amino-2-methylpropan-2-yl)-oxosulfanium

(1-amino-2-methylpropan-2-yl)-oxosulfanium (PubChem CID 174552619) has the molecular formula C4H10NOS+ and a molecular weight of 120.20 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl)-oxosulfanium.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl)-oxosulfanium
PubChem CID174552619
Molecular FormulaC4H10NOS+
Molecular Weight120.20 g/mol
Exact Mass120.05
IUPAC Name(1-amino-2-methylpropan-2-yl)-oxosulfanium
SMILESCC(C)(CN)[S+]=O
InChIInChI=1S/C4H10NOS/c1-4(2,3-5)7-6/h3,5H2,1-2H3/q+1
InChIKeyNZIGVMUOZNXAGF-UHFFFAOYSA-N
XLogP0.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane-1,3-diamine
CID 162099967
azane;2,2-dimethylpropan-1-amine;hydrochloride
CID 178079303
ethane;2-fluoro-2-methylpropan-1-amine
CID 166112006
2-methylpropane-1,2-diamine;zinc;hydrochloride
CID 175571539
2,2-dimethylpropan-1-amine;ethane;methanol
CID 142984269
2-(aminomethyl)-2-tert-butylpropane-1,3-diamine
CID 166857268
1-amino-2-methylpropane-2-thiol;hydrochloride
CID 13049104
2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine
CID 87494443
4-amino-3,3-dimethylbutanal
CID 18683027
4-amino-2,2-dimethylbutanal
CID 54099515
3-amino-2,2-dimethylpropanamide;dihydrochloride
CID 172704051
3-amino-2,2-dimethylpropanal;carbon dioxide
CID 161067598

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl)-oxosulfanium?
The IUPAC name of (1-amino-2-methylpropan-2-yl)-oxosulfanium (CID 174552619) is (1-amino-2-methylpropan-2-yl)-oxosulfanium.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl)-oxosulfanium?
The canonical SMILES for (1-amino-2-methylpropan-2-yl)-oxosulfanium is CC(C)(CN)[S+]=O.
What is the InChIKey of (1-amino-2-methylpropan-2-yl)-oxosulfanium?
The InChIKey is NZIGVMUOZNXAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NOS/c1-4(2,3-5)7-6/h3,5H2,1-2H3/q+1.
What are the key properties of (1-amino-2-methylpropan-2-yl)-oxosulfanium?
(1-amino-2-methylpropan-2-yl)-oxosulfanium has a molecular weight of 120.20 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl)-oxosulfanium is sourced from PubChem (CID 174552619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).