5-(methanesulfonamido)pentylcarbamic acid

C7H16N2O4S — CID 87726231

IUPAC5-(methanesulfonamido)pentylcarbamic acid
SMILESCS(=O)(=O)NCCCCCNC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-14(12,13)9-6-4-2-3-5-8-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyHOBTUVCVYPYBAC-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.03
Rot. Bonds7

About 5-(methanesulfonamido)pentylcarbamic acid

5-(methanesulfonamido)pentylcarbamic acid (PubChem CID 87726231) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-(methanesulfonamido)pentylcarbamic acid.

Molecular Properties

Compound Name5-(methanesulfonamido)pentylcarbamic acid
PubChem CID87726231
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name5-(methanesulfonamido)pentylcarbamic acid
SMILESCS(=O)(=O)NCCCCCNC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-14(12,13)9-6-4-2-3-5-8-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyHOBTUVCVYPYBAC-UHFFFAOYSA-N
XLogP-0.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methanesulfonamido)pentylcarbamic acid?
The IUPAC name of 5-(methanesulfonamido)pentylcarbamic acid (CID 87726231) is 5-(methanesulfonamido)pentylcarbamic acid.
What is the SMILES notation for 5-(methanesulfonamido)pentylcarbamic acid?
The canonical SMILES for 5-(methanesulfonamido)pentylcarbamic acid is CS(=O)(=O)NCCCCCNC(=O)O.
What is the InChIKey of 5-(methanesulfonamido)pentylcarbamic acid?
The InChIKey is HOBTUVCVYPYBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-14(12,13)9-6-4-2-3-5-8-7(10)11/h8-9H,2-6H2,1H3,(H,10,11).
What are the key properties of 5-(methanesulfonamido)pentylcarbamic acid?
5-(methanesulfonamido)pentylcarbamic acid has a molecular weight of 224.28 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methanesulfonamido)pentylcarbamic acid is sourced from PubChem (CID 87726231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).