2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide

C15H30N2O2S — CID 106019116

IUPAC2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H30N2O2S/c1-5-8-16-9-10-20(18,19)17-13-14(2,3)12-6-7-15(13,4)11-12/h12-13,16-17H,5-11H2,1-4H3
InChIKeyHNDKJMSJTNKDPM-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.12
Rot. Bonds7

About 2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide

2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide (PubChem CID 106019116) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide
PubChem CID106019116
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H30N2O2S/c1-5-8-16-9-10-20(18,19)17-13-14(2,3)12-6-7-15(13,4)11-12/h12-13,16-17H,5-11H2,1-4H3
InChIKeyHNDKJMSJTNKDPM-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide
CID 106019118
N-(2-tert-butylsulfonylethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103902212
N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide
CID 106335983
N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide
CID 103894738
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 50936368
4-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 2817636
1,3,3-trimethyl-N-octan-4-ylbicyclo[2.2.1]heptan-2-amine
CID 106023685
2,4,5-trichloro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 2802650
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)ethanesulfonamide
CID 114548169
N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
CID 115400247

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide?
The IUPAC name of 2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide (CID 106019116) is 2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide.
What is the SMILES notation for 2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide?
The canonical SMILES for 2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide is CCCNCCS(=O)(=O)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide?
The InChIKey is HNDKJMSJTNKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-5-8-16-9-10-20(18,19)17-13-14(2,3)12-6-7-15(13,4)11-12/h12-13,16-17H,5-11H2,1-4H3.
What are the key properties of 2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide?
2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide is sourced from PubChem (CID 106019116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).