2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid

C11H21NO4S — CID 142345030

IUPAC2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid
SMILESCC1CCCC(S(=O)(=O)N(C)CC(=O)O)CC1
InChIInChI=1S/C11H21NO4S/c1-9-4-3-5-10(7-6-9)17(15,16)12(2)8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyPDNFZTIPWWXUDA-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds4

About 2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid

2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid (PubChem CID 142345030) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid
PubChem CID142345030
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid
SMILESCC1CCCC(S(=O)(=O)N(C)CC(=O)O)CC1
InChIInChI=1S/C11H21NO4S/c1-9-4-3-5-10(7-6-9)17(15,16)12(2)8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyPDNFZTIPWWXUDA-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid
CID 105360726
2-[methyl-(4-methylcyclohexyl)amino]acetic acid
CID 60712035
2-[cyclopentylsulfonyl(methyl)amino]ethanimidamide
CID 105361938
3-[cyclohexylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 55008516
2-[cyclopropylsulfonyl(2-methylpropyl)amino]acetic acid
CID 64552825
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclopentanesulfonamide
CID 115752221
N-methyl-N-(4-methylcyclohexyl)cyclopropanesulfonamide
CID 58394512
3-(4-methylcyclohexyl)sulfonylpropanoic acid
CID 10752174
2-[2-(dimethylamino)ethyl-(3-methylsulfonylcyclohexyl)amino]acetic acid
CID 107425637
N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide
CID 164645767
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methylcyclobutanesulfonamide
CID 115272617
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid (CID 142345030) is 2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid is CC1CCCC(S(=O)(=O)N(C)CC(=O)O)CC1.
What is the InChIKey of 2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid?
The InChIKey is PDNFZTIPWWXUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9-4-3-5-10(7-6-9)17(15,16)12(2)8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid?
2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid is sourced from PubChem (CID 142345030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).