N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide

C15H31N3O2S — CID 106063963

IUPACN-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NC(CC)CC2CC2)C1
InChIInChI=1S/C15H31N3O2S/c1-3-15(10-13-7-8-13)17-21(19,20)18-9-5-6-14(12-18)11-16-4-2/h13-17H,3-12H2,1-2H3
InChIKeyXWGOLVLJBHDQQL-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.72
Rot. Bonds9

About N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide

N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106063963) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
PubChem CID106063963
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NC(CC)CC2CC2)C1
InChIInChI=1S/C15H31N3O2S/c1-3-15(10-13-7-8-13)17-21(19,20)18-9-5-6-14(12-18)11-16-4-2/h13-17H,3-12H2,1-2H3
InChIKeyXWGOLVLJBHDQQL-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106063964
N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106054302
3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108
N-(1-cyclobutylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106084943
N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106067763
3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide
CID 106068439
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 63880145
3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072219
N-[1-(dimethylamino)propan-2-yl]-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106074497
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide (CID 106063963) is N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide is CCNCC1CCCN(S(=O)(=O)NC(CC)CC2CC2)C1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is XWGOLVLJBHDQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-15(10-13-7-8-13)17-21(19,20)18-9-5-6-14(12-18)11-16-4-2/h13-17H,3-12H2,1-2H3.
What are the key properties of N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide?
N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106063963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).