5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide

C10H18N2O3S — CID 82852448

IUPAC5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide
SMILESCC(N)CCCC(=O)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c1-8(11)3-2-4-10(13)12-9-5-6-16(14,15)7-9/h5-6,8-9H,2-4,7,11H2,1H3,(H,12,13)
InChIKeyDYDWTZQSKONQPS-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.07
Rot. Bonds5

About 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide

5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide (PubChem CID 82852448) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide
PubChem CID82852448
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide
SMILESCC(N)CCCC(=O)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c1-8(11)3-2-4-10(13)12-9-5-6-16(14,15)7-9/h5-6,8-9H,2-4,7,11H2,1H3,(H,12,13)
InChIKeyDYDWTZQSKONQPS-UHFFFAOYSA-N
XLogP-0.07
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-cyclopropylhexanamide
CID 82848782
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60694173
4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 82852110
1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(2-methylpropyl)thiourea
CID 43828485
N-(3-methylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60694979
2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid
CID 82851867
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]hexanoic acid
CID 103255038
5-amino-N-[2-(cyclopropylamino)-2-oxoethyl]hexanamide
CID 82848963
5-amino-N-(5-oxopyrrolidin-3-yl)hexanamide
CID 106187716
5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide
CID 82848148
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801707

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide?
The IUPAC name of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide (CID 82852448) is 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide.
What is the SMILES notation for 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide?
The canonical SMILES for 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide is CC(N)CCCC(=O)NC1C=CS(=O)(=O)C1.
What is the InChIKey of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide?
The InChIKey is DYDWTZQSKONQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-8(11)3-2-4-10(13)12-9-5-6-16(14,15)7-9/h5-6,8-9H,2-4,7,11H2,1H3,(H,12,13).
What are the key properties of 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide?
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide has a molecular weight of 246.33 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)hexanamide is sourced from PubChem (CID 82852448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).