4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol

C10H21NO3S — CID 62774725

IUPAC4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol
SMILESCC(C)CNCC1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO3S/c1-9(2)7-11-8-10(12)3-5-15(13,14)6-4-10/h9,11-12H,3-8H2,1-2H3
InChIKeyVQSVRFRDSNTHRT-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.17
Rot. Bonds4

About 4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol

4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol (PubChem CID 62774725) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol.

Molecular Properties

Compound Name4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol
PubChem CID62774725
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol
SMILESCC(C)CNCC1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO3S/c1-9(2)7-11-8-10(12)3-5-15(13,14)6-4-10/h9,11-12H,3-8H2,1-2H3
InChIKeyVQSVRFRDSNTHRT-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol?
The IUPAC name of 4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol (CID 62774725) is 4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol.
What is the SMILES notation for 4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol?
The canonical SMILES for 4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol is CC(C)CNCC1(O)CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol?
The InChIKey is VQSVRFRDSNTHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2)7-11-8-10(12)3-5-15(13,14)6-4-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol?
4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol has a molecular weight of 235.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylamino)methyl]-1,1-dioxothian-4-ol is sourced from PubChem (CID 62774725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).