4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid

C12H26N2O4S — CID 60828129

IUPAC4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid
SMILESCCCCN(C)S(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-5-6-9-13(4)19(17,18)14(11(2)3)10-7-8-12(15)16/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyCFWNETRCNPYZIG-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.54
Rot. Bonds10

About 4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid

4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 60828129) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid
PubChem CID60828129
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid
SMILESCCCCN(C)S(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-5-6-9-13(4)19(17,18)14(11(2)3)10-7-8-12(15)16/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyCFWNETRCNPYZIG-UHFFFAOYSA-N
XLogP1.54
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[Cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361576
4-(Isopropyl(methyl)amino)butanoic acid
CID 21027685
4-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805545
4-[Bis(methylethyl)amino]butanoic acid
CID 19900411
4-[Ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
4-[Dimethylsulfamoyl(methyl)amino]butanoic acid
CID 39246269
4-[Methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid
CID 43151879
4-[Methyl(1-piperidinylsulfonyl)amino]butanoic acid
CID 43151881
4-[Diethylsulfamoyl(methyl)amino]butanoic acid
CID 43151882
4-[Propan-2-yl(propyl)amino]butanoic acid
CID 43269773
4-[Butan-2-yl(methyl)amino]butanoic acid
CID 43273106

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid (CID 60828129) is 4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid is CCCCN(C)S(=O)(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is CFWNETRCNPYZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-6-9-13(4)19(17,18)14(11(2)3)10-7-8-12(15)16/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid?
4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 294.42 g/mol, XLogP of 1.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60828129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).