N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide

C15H29N3O2S — CID 106067763

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NC2CC3CCC2C3)C1
InChIInChI=1S/C15H29N3O2S/c1-2-16-10-13-4-3-7-18(11-13)21(19,20)17-15-9-12-5-6-14(15)8-12/h12-17H,2-11H2,1H3
InChIKeyMSHOPJTZJPBLLE-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.33
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106067763) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
PubChem CID106067763
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NC2CC3CCC2C3)C1
InChIInChI=1S/C15H29N3O2S/c1-2-16-10-13-4-3-7-18(11-13)21(19,20)17-15-9-12-5-6-14(15)8-12/h12-17H,2-11H2,1H3
InChIKeyMSHOPJTZJPBLLE-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106063963
3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072219
N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106054302
N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 114552073
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106016707
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 63880145
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106067908
3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
3-(ethylaminomethyl)piperidine-1-carboxylic acid
CID 146302928
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide (CID 106067763) is N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide is CCNCC1CCCN(S(=O)(=O)NC2CC3CCC2C3)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is MSHOPJTZJPBLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-2-16-10-13-4-3-7-18(11-13)21(19,20)17-15-9-12-5-6-14(15)8-12/h12-17H,2-11H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 315.48 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106067763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).