cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid

C16H35N5O3S — CID 66848552

IUPACcyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid
SMILESO=S(=O)(O)N(C1CCCCC1)N1CCCCCCCCCCNNN1
InChIInChI=1S/C16H35N5O3S/c22-25(23,24)21(16-12-8-7-9-13-16)20-15-11-6-4-2-1-3-5-10-14-17-18-19-20/h16-19H,1-15H2,(H,22,23,24)
InChIKeyJCFCJGGAGIZSDM-UHFFFAOYSA-N
MW377.56 g/mol
LogP2.29
Rot. Bonds3

About cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid

cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid (PubChem CID 66848552) has the molecular formula C16H35N5O3S and a molecular weight of 377.56 g/mol. Its IUPAC name is cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid.

Molecular Properties

Compound Namecyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid
PubChem CID66848552
Molecular FormulaC16H35N5O3S
Molecular Weight377.56 g/mol
Exact Mass377.25
IUPAC Namecyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid
SMILESO=S(=O)(O)N(C1CCCCC1)N1CCCCCCCCCCNNN1
InChIInChI=1S/C16H35N5O3S/c22-25(23,24)21(16-12-8-7-9-13-16)20-15-11-6-4-2-1-3-5-10-14-17-18-19-20/h16-19H,1-15H2,(H,22,23,24)
InChIKeyJCFCJGGAGIZSDM-UHFFFAOYSA-N
XLogP2.29
TPSA96.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid?
The IUPAC name of cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid (CID 66848552) is cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid.
What is the SMILES notation for cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid?
The canonical SMILES for cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid is O=S(=O)(O)N(C1CCCCC1)N1CCCCCCCCCCNNN1.
What is the InChIKey of cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid?
The InChIKey is JCFCJGGAGIZSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N5O3S/c22-25(23,24)21(16-12-8-7-9-13-16)20-15-11-6-4-2-1-3-5-10-14-17-18-19-20/h16-19H,1-15H2,(H,22,23,24).
What are the key properties of cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid?
cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid has a molecular weight of 377.56 g/mol, XLogP of 2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1,2,3,4-tetrazacyclotetradec-1-yl)sulfamic acid is sourced from PubChem (CID 66848552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).