5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide

C11H22N2O3S — CID 82848148

IUPAC5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide
SMILESCC(N)CCCC(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-9(12)4-3-5-10(14)13-11(2)6-7-17(15,16)8-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyOGGAJNADKVBMHZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.20
Rot. Bonds5

About 5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide

5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide (PubChem CID 82848148) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide
PubChem CID82848148
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide
SMILESCC(N)CCCC(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-9(12)4-3-5-10(14)13-11(2)6-7-17(15,16)8-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyOGGAJNADKVBMHZ-UHFFFAOYSA-N
XLogP0.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60940763
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
CID 43697288
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
4-(4-ethoxyphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]butanamide
CID 8849501
5-amino-N-[1-(hydroxymethyl)cyclopentyl]hexanamide
CID 82851755
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
3-chloro-2-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 62727568
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
2-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43237327
3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 146124342
2-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839849

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide?
The IUPAC name of 5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide (CID 82848148) is 5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide.
What is the SMILES notation for 5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide?
The canonical SMILES for 5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide is CC(N)CCCC(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide?
The InChIKey is OGGAJNADKVBMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(12)4-3-5-10(14)13-11(2)6-7-17(15,16)8-11/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide?
5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide has a molecular weight of 262.37 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide is sourced from PubChem (CID 82848148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).