4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid

C7H15N3O4S — CID 66952819

IUPAC4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid
SMILESCS(=O)(=O)NC1CN(C(=O)O)CCC1N
InChIInChI=1S/C7H15N3O4S/c1-15(13,14)9-6-4-10(7(11)12)3-2-5(6)8/h5-6,9H,2-4,8H2,1H3,(H,11,12)
InChIKeyFUSVNTXQWLETAB-UHFFFAOYSA-N
MW237.28 g/mol
LogP-1.38
Rot. Bonds2

About 4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid

4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid (PubChem CID 66952819) has the molecular formula C7H15N3O4S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid
PubChem CID66952819
Molecular FormulaC7H15N3O4S
Molecular Weight237.28 g/mol
Exact Mass237.08
IUPAC Name4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid
SMILESCS(=O)(=O)NC1CN(C(=O)O)CCC1N
InChIInChI=1S/C7H15N3O4S/c1-15(13,14)9-6-4-10(7(11)12)3-2-5(6)8/h5-6,9H,2-4,8H2,1H3,(H,11,12)
InChIKeyFUSVNTXQWLETAB-UHFFFAOYSA-N
XLogP-1.38
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid?
The IUPAC name of 4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid (CID 66952819) is 4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid?
The canonical SMILES for 4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid is CS(=O)(=O)NC1CN(C(=O)O)CCC1N.
What is the InChIKey of 4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid?
The InChIKey is FUSVNTXQWLETAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4S/c1-15(13,14)9-6-4-10(7(11)12)3-2-5(6)8/h5-6,9H,2-4,8H2,1H3,(H,11,12).
What are the key properties of 4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid?
4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of -1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(methanesulfonamido)piperidine-1-carboxylic acid is sourced from PubChem (CID 66952819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).