(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine

C14H22ClN3O3S — CID 118785578

IUPAC(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C[C@H]1O
InChIInChI=1S/C14H22ClN3O3S/c1-17(2)22(20,21)16-13-7-8-18(10-14(13)19)9-11-3-5-12(15)6-4-11/h3-6,13-14,16,19H,7-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyHPMBXIJHJVCSDQ-ZIAGYGMSSA-N
MW347.87 g/mol
LogP0.67
Rot. Bonds5

About (3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine

(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine (PubChem CID 118785578) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is (3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine.

Molecular Properties

Compound Name(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
PubChem CID118785578
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C[C@H]1O
InChIInChI=1S/C14H22ClN3O3S/c1-17(2)22(20,21)16-13-7-8-18(10-14(13)19)9-11-3-5-12(15)6-4-11/h3-6,13-14,16,19H,7-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyHPMBXIJHJVCSDQ-ZIAGYGMSSA-N
XLogP0.67
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118785716
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118762309
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 118760807
4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 118765711
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781987
5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 95107248
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]propan-1-one
CID 83980778
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548263
1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine
CID 170638454

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
The IUPAC name of (3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine (CID 118785578) is (3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine.
What is the SMILES notation for (3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
The canonical SMILES for (3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine is CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
The InChIKey is HPMBXIJHJVCSDQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H22ClN3O3S/c1-17(2)22(20,21)16-13-7-8-18(10-14(13)19)9-11-3-5-12(15)6-4-11/h3-6,13-14,16,19H,7-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine has a molecular weight of 347.87 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine is sourced from PubChem (CID 118785578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).