N-[(1,1-dioxothian-4-yl)methyl]pentanamide

C11H21NO3S — CID 130272188

IUPACN-[(1,1-dioxothian-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO3S/c1-2-3-4-11(13)12-9-10-5-7-16(14,15)8-6-10/h10H,2-9H2,1H3,(H,12,13)
InChIKeyRGDVUGIFAPWLKI-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.12
Rot. Bonds5

About N-[(1,1-dioxothian-4-yl)methyl]pentanamide

N-[(1,1-dioxothian-4-yl)methyl]pentanamide (PubChem CID 130272188) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(1,1-dioxothian-4-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(1,1-dioxothian-4-yl)methyl]pentanamide
PubChem CID130272188
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-[(1,1-dioxothian-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO3S/c1-2-3-4-11(13)12-9-10-5-7-16(14,15)8-6-10/h10H,2-9H2,1H3,(H,12,13)
InChIKeyRGDVUGIFAPWLKI-UHFFFAOYSA-N
XLogP1.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]pentanamide?
The IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]pentanamide (CID 130272188) is N-[(1,1-dioxothian-4-yl)methyl]pentanamide.
What is the SMILES notation for N-[(1,1-dioxothian-4-yl)methyl]pentanamide?
The canonical SMILES for N-[(1,1-dioxothian-4-yl)methyl]pentanamide is CCCCC(=O)NCC1CCS(=O)(=O)CC1.
What is the InChIKey of N-[(1,1-dioxothian-4-yl)methyl]pentanamide?
The InChIKey is RGDVUGIFAPWLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-2-3-4-11(13)12-9-10-5-7-16(14,15)8-6-10/h10H,2-9H2,1H3,(H,12,13).
What are the key properties of N-[(1,1-dioxothian-4-yl)methyl]pentanamide?
N-[(1,1-dioxothian-4-yl)methyl]pentanamide has a molecular weight of 247.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothian-4-yl)methyl]pentanamide is sourced from PubChem (CID 130272188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).