1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine

C21H30N4O2S — CID 42451286

IUPAC1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine
SMILESC[C@H](NC1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H30N4O2S/c1-17(18-7-5-4-6-8-18)22-19-13-15-25(16-14-19)21-11-9-20(10-12-21)23-28(26,27)24(2)3/h4-12,17,19,22-23H,13-16H2,1-3H3/t17-/m0/s1
InChIKeyUOHOMEOVDFVHMM-KRWDZBQOSA-N
MW402.56 g/mol
LogP3.22
Rot. Bonds7

About 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine

1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine (PubChem CID 42451286) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine
PubChem CID42451286
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine
SMILESC[C@H](NC1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H30N4O2S/c1-17(18-7-5-4-6-8-18)22-19-13-15-25(16-14-19)21-11-9-20(10-12-21)23-28(26,27)24(2)3/h4-12,17,19,22-23H,13-16H2,1-3H3/t17-/m0/s1
InChIKeyUOHOMEOVDFVHMM-KRWDZBQOSA-N
XLogP3.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 112985417
1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene
CID 112982256
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
1-[4-(dimethylsulfamoylamino)phenyl]-4-(thiophen-2-ylmethylamino)piperidine
CID 42432621
N,N-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxamide
CID 83206240
N,N-dimethyl-4-(1-phenylethylamino)piperidine-1-carboxamide
CID 83205698
N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine
CID 103902239
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393
2-[4-(dimethylsulfamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline
CID 112983357
1-[4-(dimethylsulfamoylamino)phenyl]-4-(2-methoxyphenyl)piperazine
CID 112984492
N-methyl-2-[(1-phenylpiperidin-4-yl)amino]propanamide
CID 103778222

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine?
The IUPAC name of 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine (CID 42451286) is 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine.
What is the SMILES notation for 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine?
The canonical SMILES for 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine is C[C@H](NC1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine?
The InChIKey is UOHOMEOVDFVHMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-17(18-7-5-4-6-8-18)22-19-13-15-25(16-14-19)21-11-9-20(10-12-21)23-28(26,27)24(2)3/h4-12,17,19,22-23H,13-16H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine?
1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine has a molecular weight of 402.56 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine is sourced from PubChem (CID 42451286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).