(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol

C16H19NO3S — CID 3714477

IUPAC(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCCC1CO
InChIInChI=1S/C16H19NO3S/c18-12-15-7-3-4-10-17(15)21(19,20)16-9-8-13-5-1-2-6-14(13)11-16/h1-2,5-6,8-9,11,15,18H,3-4,7,10,12H2
InChIKeyAXMNTLRUBQZOTO-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds3

About (1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol

(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol (PubChem CID 3714477) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol
PubChem CID3714477
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCCC1CO
InChIInChI=1S/C16H19NO3S/c18-12-15-7-3-4-10-17(15)21(19,20)16-9-8-13-5-1-2-6-14(13)11-16/h1-2,5-6,8-9,11,15,18H,3-4,7,10,12H2
InChIKeyAXMNTLRUBQZOTO-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3H)SB-733993
CID 73755092
1-Naphthalen-2-ylsulfonylpiperidine
CID 764406
4-Methyl-1-(2-naphthylsulfonyl)piperidine
CID 767330
N-[(2R)-2-hydroxy-3-(2-methylpiperidin-1-yl)propyl]naphthalene-1-sulfonamide
CID 44439789
N-[(2R)-3-[(2S)-2-ethylpiperidin-1-yl]-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 44439791
N-(2-methoxyethyl)-N-[(1-prop-2-ynylpiperidin-4-yl)methyl]naphthalene-2-sulfonamide
CID 134155772
4-(Naphthalene-2-sulfonyl)morpholine
CID 759798
N-[(2R)-3-(2-ethylpiperidin-1-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 44439790
1-(2-Naphthylsulfonyl)piperidine-2-carboxylic acid
CID 2769968
N-[4-(2-hydroxyethyl)cyclohexyl]naphthalene-2-sulfonamide
CID 56941570
2-(4-Naphthalen-2-ylsulfonylpiperazin-1-yl)ethanol;hydrochloride
CID 16241885
3-Methyl-1-(2-naphthylsulfonyl)piperidine
CID 2897266

Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol?
The IUPAC name of (1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol (CID 3714477) is (1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol.
What is the SMILES notation for (1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol?
The canonical SMILES for (1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol is O=S(=O)(c1ccc2ccccc2c1)N1CCCCC1CO.
What is the InChIKey of (1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol?
The InChIKey is AXMNTLRUBQZOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-12-15-7-3-4-10-17(15)21(19,20)16-9-8-13-5-1-2-6-14(13)11-16/h1-2,5-6,8-9,11,15,18H,3-4,7,10,12H2.
What are the key properties of (1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol?
(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol has a molecular weight of 305.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanol is sourced from PubChem (CID 3714477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).