1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine

C14H20Cl2N2O2S — CID 119961026

IUPAC1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H20Cl2N2O2S/c1-17-8-11-3-2-4-18(9-11)21(19,20)10-12-5-13(15)7-14(16)6-12/h5-7,11,17H,2-4,8-10H2,1H3
InChIKeyCFBDHQBXBLBRFU-UHFFFAOYSA-N
MW351.30 g/mol
LogP2.75
Rot. Bonds5

About 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine

1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 119961026) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID119961026
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H20Cl2N2O2S/c1-17-8-11-3-2-4-18(9-11)21(19,20)10-12-5-13(15)7-14(16)6-12/h5-7,11,17H,2-4,8-10H2,1H3
InChIKeyCFBDHQBXBLBRFU-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine 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

2-[[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]methylamino]acetic acid
CID 120727058
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 119990947
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264275
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977516
1-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61206042
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961191
(3S)-1-[(3,5-dichlorophenyl)methylsulfonyl]pyrrolidin-3-amine;hydrochloride
CID 167960398
N-(2-bromo-4-chlorophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073482
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
1-[1-(5-chloro-2-nitrophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 119961448
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine (CID 119961026) is 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is CFBDHQBXBLBRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-17-8-11-3-2-4-18(9-11)21(19,20)10-12-5-13(15)7-14(16)6-12/h5-7,11,17H,2-4,8-10H2,1H3.
What are the key properties of 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine?
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 351.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 119961026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).