N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide

C18H23ClN2O3S — CID 97275202

IUPACN-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2ccc(Cl)o2)C1
InChIInChI=1S/C18H23ClN2O3S/c19-18-9-8-17(24-18)13-21-10-4-7-16(12-21)11-20-25(22,23)14-15-5-2-1-3-6-15/h1-3,5-6,8-9,16,20H,4,7,10-14H2/t16-/m1/s1
InChIKeyNMQIPBICAKEPJP-MRXNPFEDSA-N
MW382.91 g/mol
LogP3.26
Rot. Bonds7

About N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide

N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide (PubChem CID 97275202) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
PubChem CID97275202
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC NameN-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2ccc(Cl)o2)C1
InChIInChI=1S/C18H23ClN2O3S/c19-18-9-8-17(24-18)13-21-10-4-7-16(12-21)11-20-25(22,23)14-15-5-2-1-3-6-15/h1-3,5-6,8-9,16,20H,4,7,10-14H2/t16-/m1/s1
InChIKeyNMQIPBICAKEPJP-MRXNPFEDSA-N
XLogP3.26
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72876889
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 26399178
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72910147
N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 45198431
1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide
CID 97273714
1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 42193248
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
3-[(dimethylsulfamoylamino)methyl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
CID 45210868
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide (CID 97275202) is N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2ccc(Cl)o2)C1.
What is the InChIKey of N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is NMQIPBICAKEPJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23ClN2O3S/c19-18-9-8-17(24-18)13-21-10-4-7-16(12-21)11-20-25(22,23)14-15-5-2-1-3-6-15/h1-3,5-6,8-9,16,20H,4,7,10-14H2/t16-/m1/s1.
What are the key properties of N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide?
N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 382.91 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 97275202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).