2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine

C8H17NO2S — CID 117104721

IUPAC2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2,6-9)7-4-3-5-12(7,10)11/h7H,3-6,9H2,1-2H3
InChIKeyVFSYYNUZUSKUJT-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds2

About 2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine

2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine (PubChem CID 117104721) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine
PubChem CID117104721
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)C1CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(2,6-9)7-4-3-5-12(7,10)11/h7H,3-6,9H2,1-2H3
InChIKeyVFSYYNUZUSKUJT-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxothian-2-yl)-2-methylpropanoic acid
CID 84787514
(1,1-dioxothiolan-2-yl)methanamine
CID 55289628
1-(1,1-dioxothiolan-2-yl)-1,1-difluoropropan-2-ol
CID 105467505
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
2-(1,1-dioxothian-4-yl)-2-fluoropropan-1-amine
CID 105463191
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
CID 104520788
O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine
CID 117104786
(1,1-dioxothiolan-2-yl) 2,2-dimethylbutanoate
CID 153448807
N-(1-amino-2,4-dimethylpentan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104520835
2-cyclobutylsulfonyl-2-methylpropan-1-amine
CID 116855236
(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide
CID 103930251

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine (CID 117104721) is 2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine is CC(C)(CN)C1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine?
The InChIKey is VFSYYNUZUSKUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2,6-9)7-4-3-5-12(7,10)11/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine?
2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 117104721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).