1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide

C15H30N2O2S — CID 106019118

IUPAC1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H30N2O2S/c1-6-16-10-11(2)20(18,19)17-13-14(3,4)12-7-8-15(13,5)9-12/h11-13,16-17H,6-10H2,1-5H3
InChIKeyNSWFKVRKYYXZBO-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.12
Rot. Bonds6

About 1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide

1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide (PubChem CID 106019118) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide
PubChem CID106019118
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H30N2O2S/c1-6-16-10-11(2)20(18,19)17-13-14(3,4)12-7-8-15(13,5)9-12/h11-13,16-17H,6-10H2,1-5H3
InChIKeyNSWFKVRKYYXZBO-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077364
2-(propylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanesulfonamide
CID 106019116
N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106075173
2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
CID 64581252
1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide
CID 106084518
N-(2-tert-butylsulfonylethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103902212
(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 78995759
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
N-(2,4-dimethylpentyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114200148
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 50936368

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide (CID 106019118) is 1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide?
The InChIKey is NSWFKVRKYYXZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-6-16-10-11(2)20(18,19)17-13-14(3,4)12-7-8-15(13,5)9-12/h11-13,16-17H,6-10H2,1-5H3.
What are the key properties of 1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide?
1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide is sourced from PubChem (CID 106019118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).