N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide

C17H27N3O3S — CID 119595265

IUPACN-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)N2CCCC(C(C)N)C2)cc1
InChIInChI=1S/C17H27N3O3S/c1-3-24(22,23)19-11-14-6-8-15(9-7-14)17(21)20-10-4-5-16(12-20)13(2)18/h6-9,13,16,19H,3-5,10-12,18H2,1-2H3
InChIKeyCODKHLAHBIAEIO-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.33
Rot. Bonds6

About N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide

N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide (PubChem CID 119595265) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide
PubChem CID119595265
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(C(=O)N2CCCC(C(C)N)C2)cc1
InChIInChI=1S/C17H27N3O3S/c1-3-24(22,23)19-11-14-6-8-15(9-7-14)17(21)20-10-4-5-16(12-20)13(2)18/h6-9,13,16,19H,3-5,10-12,18H2,1-2H3
InChIKeyCODKHLAHBIAEIO-UHFFFAOYSA-N
XLogP1.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 124691388
[3-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119595101
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
[3-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 119594454
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119592837
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119594746
1-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 119595515
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119593799
[3-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119596221
5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 124592409
[3-(1-aminoethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119596081

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide (CID 119595265) is N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc(C(=O)N2CCCC(C(C)N)C2)cc1.
What is the InChIKey of N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide?
The InChIKey is CODKHLAHBIAEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-24(22,23)19-11-14-6-8-15(9-7-14)17(21)20-10-4-5-16(12-20)13(2)18/h6-9,13,16,19H,3-5,10-12,18H2,1-2H3.
What are the key properties of N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide?
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide has a molecular weight of 353.49 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 119595265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).