2-[4-(methanesulfonamido)butylamino]acetic acid

C7H16N2O4S — CID 169025259

IUPAC2-[4-(methanesulfonamido)butylamino]acetic acid
SMILESCS(=O)(=O)NCCCCNCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-14(12,13)9-5-3-2-4-8-6-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyQYCMENBVIUURSZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.01
Rot. Bonds8

About 2-[4-(methanesulfonamido)butylamino]acetic acid

2-[4-(methanesulfonamido)butylamino]acetic acid (PubChem CID 169025259) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)butylamino]acetic acid.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)butylamino]acetic acid
PubChem CID169025259
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name2-[4-(methanesulfonamido)butylamino]acetic acid
SMILESCS(=O)(=O)NCCCCNCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-14(12,13)9-5-3-2-4-8-6-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyQYCMENBVIUURSZ-UHFFFAOYSA-N
XLogP-1.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336425
2-(16-sulfohexadecylamino)acetic acid
CID 22833417
propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336503
2-(4-hydroxybutylamino)acetic acid
CID 22121765
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
N-[3-(pentylamino)propyl]methanesulfonamide
CID 106333021
3-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336520
butyl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336288
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
CID 106336845
2-[2-[[3-(methanesulfonamido)propylamino]methyl]phenyl]acetic acid
CID 106336801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)butylamino]acetic acid?
The IUPAC name of 2-[4-(methanesulfonamido)butylamino]acetic acid (CID 169025259) is 2-[4-(methanesulfonamido)butylamino]acetic acid.
What is the SMILES notation for 2-[4-(methanesulfonamido)butylamino]acetic acid?
The canonical SMILES for 2-[4-(methanesulfonamido)butylamino]acetic acid is CS(=O)(=O)NCCCCNCC(=O)O.
What is the InChIKey of 2-[4-(methanesulfonamido)butylamino]acetic acid?
The InChIKey is QYCMENBVIUURSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-14(12,13)9-5-3-2-4-8-6-7(10)11/h8-9H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[4-(methanesulfonamido)butylamino]acetic acid?
2-[4-(methanesulfonamido)butylamino]acetic acid has a molecular weight of 224.28 g/mol, XLogP of -1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)butylamino]acetic acid is sourced from PubChem (CID 169025259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).