2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid

C15H22N2O4S2 — CID 122072051

IUPAC2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCc1csc(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)c1
InChIInChI=1S/C15H22N2O4S2/c1-10-4-15(22-9-10)23(20,21)16-12-5-13(6-12)17(8-14(18)19)7-11-2-3-11/h4,9,11-13,16H,2-3,5-8H2,1H3,(H,18,19)
InChIKeyPSKNRZIZQWARES-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.66
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid (PubChem CID 122072051) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid
PubChem CID122072051
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC Name2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCc1csc(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)c1
InChIInChI=1S/C15H22N2O4S2/c1-10-4-15(22-9-10)23(20,21)16-12-5-13(6-12)17(8-14(18)19)7-11-2-3-11/h4,9,11-13,16H,2-3,5-8H2,1H3,(H,18,19)
InChIKeyPSKNRZIZQWARES-UHFFFAOYSA-N
XLogP1.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071854
2-[cyclopropylmethyl-[3-(thiophen-3-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122072028
2-[cyclopropylmethyl-[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071896
2-[cyclopropylmethyl-[3-[(3-methyl-4-nitrophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071861
2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071751
2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071721
2-[cyclopropylmethyl-[3-[(3-fluoro-2-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071868
2-[[3-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122071775
2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid
CID 122071838
2-[cyclopropylmethyl-[3-[(4-ethoxyphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071739
2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041267
2-[cyclopropylmethyl-[3-[(2,4,6-trimethylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073514

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid (CID 122072051) is 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid is Cc1csc(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)c1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The InChIKey is PSKNRZIZQWARES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-10-4-15(22-9-10)23(20,21)16-12-5-13(6-12)17(8-14(18)19)7-11-2-3-11/h4,9,11-13,16H,2-3,5-8H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid has a molecular weight of 358.49 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122072051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).