(1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine

C8H17NO2S — CID 70671980

IUPAC(1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)[C@H]1CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-6(2)8(9)7-4-3-5-12(7,10)11/h6-8H,3-5,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyBZPQPVPJHFNVBZ-HTQZYQBOSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds2

About (1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine

(1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine (PubChem CID 70671980) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine
PubChem CID70671980
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)[C@H]1CCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-6(2)8(9)7-4-3-5-12(7,10)11/h6-8H,3-5,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyBZPQPVPJHFNVBZ-HTQZYQBOSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine (CID 70671980) is (1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine is CC(C)[C@@H](N)[C@H]1CCCS1(=O)=O.
What is the InChIKey of (1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine?
The InChIKey is BZPQPVPJHFNVBZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(2)8(9)7-4-3-5-12(7,10)11/h6-8H,3-5,9H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine?
(1R)-1-[(2R)-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 (1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 70671980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).