N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide

C14H23N3O3S — CID 43461523

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC(O)c2ccc(N)cc2)C1
InChIInChI=1S/C14H23N3O3S/c1-11-3-2-8-17(10-11)21(19,20)16-9-14(18)12-4-6-13(15)7-5-12/h4-7,11,14,16,18H,2-3,8-10,15H2,1H3
InChIKeyPRJDAKUATVVDIL-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 43461523) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide
PubChem CID43461523
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC(O)c2ccc(N)cc2)C1
InChIInChI=1S/C14H23N3O3S/c1-11-3-2-8-17(10-11)21(19,20)16-9-14(18)12-4-6-13(15)7-5-12/h4-7,11,14,16,18H,2-3,8-10,15H2,1H3
InChIKeyPRJDAKUATVVDIL-UHFFFAOYSA-N
XLogP0.87
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
CID 43606393
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
CID 103836469
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066565
N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
CID 43461540
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide (CID 43461523) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCC(O)c2ccc(N)cc2)C1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is PRJDAKUATVVDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-3-2-8-17(10-11)21(19,20)16-9-14(18)12-4-6-13(15)7-5-12/h4-7,11,14,16,18H,2-3,8-10,15H2,1H3.
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43461523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).