[2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium

C11H18N3O3S3+ — CID 171625366

IUPAC[2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium
SMILESCc1sc(S(=O)(=O)N2CCSCC2)cc1NC(=O)C[NH3+]
InChIInChI=1S/C11H17N3O3S3/c1-8-9(13-10(15)7-12)6-11(19-8)20(16,17)14-2-4-18-5-3-14/h6H,2-5,7,12H2,1H3,(H,13,15)/p+1
InChIKeyKINVKPKSKCZFKL-UHFFFAOYSA-O
MW336.48 g/mol
LogP-0.03
Rot. Bonds4

About [2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium

[2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium (PubChem CID 171625366) has the molecular formula C11H18N3O3S3+ and a molecular weight of 336.48 g/mol. Its IUPAC name is [2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium
PubChem CID171625366
Molecular FormulaC11H18N3O3S3+
Molecular Weight336.48 g/mol
Exact Mass336.05
IUPAC Name[2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium
SMILESCc1sc(S(=O)(=O)N2CCSCC2)cc1NC(=O)C[NH3+]
InChIInChI=1S/C11H17N3O3S3/c1-8-9(13-10(15)7-12)6-11(19-8)20(16,17)14-2-4-18-5-3-14/h6H,2-5,7,12H2,1H3,(H,13,15)/p+1
InChIKeyKINVKPKSKCZFKL-UHFFFAOYSA-O
XLogP-0.03
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of [2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium (CID 171625366) is [2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium is Cc1sc(S(=O)(=O)N2CCSCC2)cc1NC(=O)C[NH3+].
What is the InChIKey of [2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium?
The InChIKey is KINVKPKSKCZFKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17N3O3S3/c1-8-9(13-10(15)7-12)6-11(19-8)20(16,17)14-2-4-18-5-3-14/h6H,2-5,7,12H2,1H3,(H,13,15)/p+1.
What are the key properties of [2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium?
[2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium has a molecular weight of 336.48 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 171625366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).