2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid

C12H21NO4S — CID 64987369

IUPAC2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)CC1CC1)C1CCCCC1
InChIInChI=1S/C12H21NO4S/c14-12(15)11(10-4-2-1-3-5-10)13-18(16,17)8-9-6-7-9/h9-11,13H,1-8H2,(H,14,15)
InChIKeyPOGSSDGKTLXFMX-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.35
Rot. Bonds6

About 2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid

2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid (PubChem CID 64987369) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid
PubChem CID64987369
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)CC1CC1)C1CCCCC1
InChIInChI=1S/C12H21NO4S/c14-12(15)11(10-4-2-1-3-5-10)13-18(16,17)8-9-6-7-9/h9-11,13H,1-8H2,(H,14,15)
InChIKeyPOGSSDGKTLXFMX-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-(2-methylsulfonylethylsulfonylamino)acetic acid
CID 63245001
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CID 61358761
2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid
CID 54901825
2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid
CID 63688223
2-(cyclohexylmethylsulfonylamino)-4-hydroxybutanoic acid
CID 54947785
(2S)-2-(cyclohexylmethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 61454161
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
2-cyclohexyl-2-(propylsulfamoylamino)acetic acid
CID 114805745
2-(cyclohexylmethylsulfonylamino)pentanedioic acid
CID 61453777
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid (CID 64987369) is 2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid is O=C(O)C(NS(=O)(=O)CC1CC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid?
The InChIKey is POGSSDGKTLXFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c14-12(15)11(10-4-2-1-3-5-10)13-18(16,17)8-9-6-7-9/h9-11,13H,1-8H2,(H,14,15).
What are the key properties of 2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid?
2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid has a molecular weight of 275.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(cyclopropylmethylsulfonylamino)acetic acid is sourced from PubChem (CID 64987369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).