N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine

C16H26N2O2S — CID 63879807

IUPACN-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C16H26N2O2S/c1-3-10-17-12-15-5-4-11-18(13-15)21(19,20)16-8-6-14(2)7-9-16/h6-9,15,17H,3-5,10-13H2,1-2H3
InChIKeyBNTZLSZCMYXINW-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.40
Rot. Bonds6

About N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine

N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine (PubChem CID 63879807) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
PubChem CID63879807
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C16H26N2O2S/c1-3-10-17-12-15-5-4-11-18(13-15)21(19,20)16-8-6-14(2)7-9-16/h6-9,15,17H,3-5,10-13H2,1-2H3
InChIKeyBNTZLSZCMYXINW-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine 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

N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879144
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211158
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63878413
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
2-[[1-(4-phenylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120726975
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine (CID 63879807) is N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine?
The InChIKey is BNTZLSZCMYXINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-10-17-12-15-5-4-11-18(13-15)21(19,20)16-8-6-14(2)7-9-16/h6-9,15,17H,3-5,10-13H2,1-2H3.
What are the key properties of N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine?
N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine has a molecular weight of 310.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63879807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).