N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide

C18H30N2O4S — CID 25044705

IUPACN-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1
InChIInChI=1S/C18H30N2O4S/c1-15(2)25(22,23)19-12-17-4-3-9-20(14-17)13-16-5-7-18(8-6-16)24-11-10-21/h5-8,15,17,19,21H,3-4,9-14H2,1-2H3/t17-/m0/s1
InChIKeyHNKMJGFNCOEUIZ-KRWDZBQOSA-N
MW370.52 g/mol
LogP1.60
Rot. Bonds9

About N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide

N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide (PubChem CID 25044705) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide
PubChem CID25044705
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1
InChIInChI=1S/C18H30N2O4S/c1-15(2)25(22,23)19-12-17-4-3-9-20(14-17)13-16-5-7-18(8-6-16)24-11-10-21/h5-8,15,17,19,21H,3-4,9-14H2,1-2H3/t17-/m0/s1
InChIKeyHNKMJGFNCOEUIZ-KRWDZBQOSA-N
XLogP1.60
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide
CID 25037618
N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide
CID 25037634
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346
2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95867281
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide
CID 25045018
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110008877
3-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42456464
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
CID 54794603
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25040869

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide (CID 25044705) is N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1.
What is the InChIKey of N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide?
The InChIKey is HNKMJGFNCOEUIZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-15(2)25(22,23)19-12-17-4-3-9-20(14-17)13-16-5-7-18(8-6-16)24-11-10-21/h5-8,15,17,19,21H,3-4,9-14H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide?
N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide has a molecular weight of 370.52 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 25044705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).