7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide

C11H22N2O3S — CID 24710783

IUPAC7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide
SMILESNCCCCCCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c12-7-4-2-1-3-5-11(14)13-10-6-8-17(15,16)9-10/h10H,1-9,12H2,(H,13,14)
InChIKeyJFPZKUZCNIZQLC-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.20
Rot. Bonds7

About 7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide

7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide (PubChem CID 24710783) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide
PubChem CID24710783
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide
SMILESNCCCCCCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c12-7-4-2-1-3-5-11(14)13-10-6-8-17(15,16)9-10/h10H,1-9,12H2,(H,13,14)
InChIKeyJFPZKUZCNIZQLC-UHFFFAOYSA-N
XLogP0.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.20
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

6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
N-(1,1-dioxothiolan-3-yl)-4-pyrrol-1-ylbutanamide
CID 128963547
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
4-chloro-N-(1,1-dioxothian-3-yl)butanamide
CID 63923315
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
4-cyclopentyl-N-(1,1-dioxothian-3-yl)butanamide
CID 71994756
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide?
The IUPAC name of 7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide (CID 24710783) is 7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide?
The canonical SMILES for 7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide is NCCCCCCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide?
The InChIKey is JFPZKUZCNIZQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c12-7-4-2-1-3-5-11(14)13-10-6-8-17(15,16)9-10/h10H,1-9,12H2,(H,13,14).
What are the key properties of 7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide?
7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide has a molecular weight of 262.37 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide is sourced from PubChem (CID 24710783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).