N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide

C19H32N2O4S — CID 97237584

IUPACN-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCCCOc1c(CN2CCC[C@H](CNS(C)(=O)=O)C2)cccc1OCC
InChIInChI=1S/C19H32N2O4S/c1-4-12-25-19-17(9-6-10-18(19)24-5-2)15-21-11-7-8-16(14-21)13-20-26(3,22)23/h6,9-10,16,20H,4-5,7-8,11-15H2,1-3H3/t16-/m1/s1
InChIKeyBQJGPRDTDXKQOT-MRXNPFEDSA-N
MW384.54 g/mol
LogP2.64
Rot. Bonds10

About N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 97237584) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID97237584
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC NameN-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCCCOc1c(CN2CCC[C@H](CNS(C)(=O)=O)C2)cccc1OCC
InChIInChI=1S/C19H32N2O4S/c1-4-12-25-19-17(9-6-10-18(19)24-5-2)15-21-11-7-8-16(14-21)13-20-26(3,22)23/h6,9-10,16,20H,4-5,7-8,11-15H2,1-3H3/t16-/m1/s1
InChIKeyBQJGPRDTDXKQOT-MRXNPFEDSA-N
XLogP2.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 126808430
N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95218558
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723842
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
N-[[(3S)-1-[[2-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95205463
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60883395

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide (CID 97237584) is N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide is CCCOc1c(CN2CCC[C@H](CNS(C)(=O)=O)C2)cccc1OCC.
What is the InChIKey of N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is BQJGPRDTDXKQOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-4-12-25-19-17(9-6-10-18(19)24-5-2)15-21-11-7-8-16(14-21)13-20-26(3,22)23/h6,9-10,16,20H,4-5,7-8,11-15H2,1-3H3/t16-/m1/s1.
What are the key properties of N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 384.54 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(3-ethoxy-2-propoxyphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97237584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).