5-[(1,1-dioxothian-4-yl)amino]pentanamide

C10H20N2O3S — CID 106233333

IUPAC5-[(1,1-dioxothian-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20N2O3S/c11-10(13)3-1-2-6-12-9-4-7-16(14,15)8-5-9/h9,12H,1-8H2,(H2,11,13)
InChIKeyRYHDTBLQZOYYOS-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.19
Rot. Bonds6

About 5-[(1,1-dioxothian-4-yl)amino]pentanamide

5-[(1,1-dioxothian-4-yl)amino]pentanamide (PubChem CID 106233333) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-[(1,1-dioxothian-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(1,1-dioxothian-4-yl)amino]pentanamide
PubChem CID106233333
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name5-[(1,1-dioxothian-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20N2O3S/c11-10(13)3-1-2-6-12-9-4-7-16(14,15)8-5-9/h9,12H,1-8H2,(H2,11,13)
InChIKeyRYHDTBLQZOYYOS-UHFFFAOYSA-N
XLogP-0.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxybutanimidamide
CID 77027987
4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
CID 64910901
N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43511552
4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062138
5-(thiolan-3-ylamino)pentanamide
CID 106233737
3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide
CID 106170603
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
CID 60980818
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546
3-[2-[(1,1-dioxothian-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117132
N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine
CID 63982238
2-amino-3-[(1,1-dioxothian-4-yl)amino]propanoic acid
CID 64583635

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothian-4-yl)amino]pentanamide?
The IUPAC name of 5-[(1,1-dioxothian-4-yl)amino]pentanamide (CID 106233333) is 5-[(1,1-dioxothian-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(1,1-dioxothian-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(1,1-dioxothian-4-yl)amino]pentanamide is NC(=O)CCCCNC1CCS(=O)(=O)CC1.
What is the InChIKey of 5-[(1,1-dioxothian-4-yl)amino]pentanamide?
The InChIKey is RYHDTBLQZOYYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c11-10(13)3-1-2-6-12-9-4-7-16(14,15)8-5-9/h9,12H,1-8H2,(H2,11,13).
What are the key properties of 5-[(1,1-dioxothian-4-yl)amino]pentanamide?
5-[(1,1-dioxothian-4-yl)amino]pentanamide has a molecular weight of 248.35 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothian-4-yl)amino]pentanamide is sourced from PubChem (CID 106233333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).