N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide

C14H26N2O3S — CID 47141580

IUPACN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)N1CCOCC1)C2
InChIInChI=1S/C14H26N2O3S/c1-13(2)11-4-5-14(13,3)12(10-11)15-20(17,18)16-6-8-19-9-7-16/h11-12,15H,4-10H2,1-3H3
InChIKeyYOFDNFDQPPRORU-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.37
Rot. Bonds3

About N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide

N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide (PubChem CID 47141580) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide
PubChem CID47141580
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)N1CCOCC1)C2
InChIInChI=1S/C14H26N2O3S/c1-13(2)11-4-5-14(13,3)12(10-11)15-20(17,18)16-6-8-19-9-7-16/h11-12,15H,4-10H2,1-3H3
InChIKeyYOFDNFDQPPRORU-UHFFFAOYSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide?
The IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide (CID 47141580) is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide is CC1(C)C2CCC1(C)C(NS(=O)(=O)N1CCOCC1)C2.
What is the InChIKey of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide?
The InChIKey is YOFDNFDQPPRORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-13(2)11-4-5-14(13,3)12(10-11)15-20(17,18)16-6-8-19-9-7-16/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide?
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)morpholine-4-sulfonamide is sourced from PubChem (CID 47141580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).