2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid

C13H22N2O5S — CID 102885299

IUPAC2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H22N2O5S/c1-10-9-21(19,20)7-6-14(10)13(18)15(8-12(16)17)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyVZPXAFNBWQKFSR-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.55
Rot. Bonds3

About 2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid

2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid (PubChem CID 102885299) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
PubChem CID102885299
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
SMILESCC1CS(=O)(=O)CCN1C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H22N2O5S/c1-10-9-21(19,20)7-6-14(10)13(18)15(8-12(16)17)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyVZPXAFNBWQKFSR-UHFFFAOYSA-N
XLogP0.55
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 61207835
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
3-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-oxobutanoic acid
CID 102883221
2-[(1,1-dioxothiolan-3-yl)-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61189620
2-methyl-3-(methylamino)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 103811877
N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide
CID 164640103
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(6-methylpiperidin-2-yl)methanone
CID 102883606
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 102883074
3-chloro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883010
(2S)-2-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]butanedioic acid
CID 102885035
3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188251
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanimine
CID 102887181

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid (CID 102885299) is 2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid is CC1CS(=O)(=O)CCN1C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid?
The InChIKey is VZPXAFNBWQKFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-10-9-21(19,20)7-6-14(10)13(18)15(8-12(16)17)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid?
2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid has a molecular weight of 318.40 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 102885299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).