cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane

C16H37N5O3S — CID 66848243

IUPACcyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane
SMILESC1CCCCCNNNNCCCC1.O=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C10H24N4.C6H13NO3S/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1;8-11(9,10)7-6-4-2-1-3-5-6/h11-14H,1-10H2;6-7H,1-5H2,(H,8,9,10)
InChIKeyBUKCIQWQPWCGEJ-UHFFFAOYSA-N
MW379.57 g/mol
LogP1.94
Rot. Bonds2

About cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane

cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane (PubChem CID 66848243) has the molecular formula C16H37N5O3S and a molecular weight of 379.57 g/mol. Its IUPAC name is cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane.

Molecular Properties

Compound Namecyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane
PubChem CID66848243
Molecular FormulaC16H37N5O3S
Molecular Weight379.57 g/mol
Exact Mass379.26
IUPAC Namecyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane
SMILESC1CCCCCNNNNCCCC1.O=S(=O)(O)NC1CCCCC1
InChIInChI=1S/C10H24N4.C6H13NO3S/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1;8-11(9,10)7-6-4-2-1-3-5-6/h11-14H,1-10H2;6-7H,1-5H2,(H,8,9,10)
InChIKeyBUKCIQWQPWCGEJ-UHFFFAOYSA-N
XLogP1.94
TPSA114.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.57
LogP ≤ 51.94
H-Bond Donors ≤ 56
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 cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane?
The IUPAC name of cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane (CID 66848243) is cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane.
What is the SMILES notation for cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane?
The canonical SMILES for cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane is C1CCCCCNNNNCCCC1.O=S(=O)(O)NC1CCCCC1.
What is the InChIKey of cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane?
The InChIKey is BUKCIQWQPWCGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.C6H13NO3S/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1;8-11(9,10)7-6-4-2-1-3-5-6/h11-14H,1-10H2;6-7H,1-5H2,(H,8,9,10).
What are the key properties of cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane?
cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane has a molecular weight of 379.57 g/mol, XLogP of 1.94, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfamic acid;1,2,3,4-tetrazacyclotetradecane is sourced from PubChem (CID 66848243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).