(3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol

C8H17NO3S — CID 1239638

IUPAC(3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
SMILESCC(C)CN[C@@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C8H17NO3S/c1-6(2)3-9-7-4-13(11,12)5-8(7)10/h6-10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyASXXODVEVSEVMM-SFYZADRCSA-N
MW207.29 g/mol
LogP-0.61
Rot. Bonds3

About (3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol

(3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol (PubChem CID 1239638) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
PubChem CID1239638
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
SMILESCC(C)CN[C@@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C8H17NO3S/c1-6(2)3-9-7-4-13(11,12)5-8(7)10/h6-10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyASXXODVEVSEVMM-SFYZADRCSA-N
XLogP-0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of (3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol (CID 1239638) is (3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol is CC(C)CN[C@@H]1CS(=O)(=O)C[C@@H]1O.
What is the InChIKey of (3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is ASXXODVEVSEVMM-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-6(2)3-9-7-4-13(11,12)5-8(7)10/h6-10H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol?
(3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 207.29 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 1239638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).