3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol

C16H21NO3S — CID 64899704

IUPAC3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
SMILESCCNC(CCO)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO3S/c1-2-17-15(9-10-18)12-21(19,20)16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,17-18H,2,9-10,12H2,1H3
InChIKeyKMGQEHNXJOXGPI-UHFFFAOYSA-N
MW307.41 g/mol
LogP1.97
Rot. Bonds7

About 3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol

3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol (PubChem CID 64899704) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
PubChem CID64899704
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
SMILESCCNC(CCO)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO3S/c1-2-17-15(9-10-18)12-21(19,20)16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,17-18H,2,9-10,12H2,1H3
InChIKeyKMGQEHNXJOXGPI-UHFFFAOYSA-N
XLogP1.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 69383125
4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol
CID 64898401
2-(2,2-dimethoxyethylsulfonyl)naphthalene
CID 66223688
1-(3-chlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64675422
(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
CID 114243943
N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 2439926
N-ethyl-1-(4-fluorophenyl)sulfonylpentan-2-amine
CID 64639026
N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine
CID 64705187
methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate
CID 58256208
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfonylnaphthalene
CID 65017357
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol?
The IUPAC name of 3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol (CID 64899704) is 3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol is CCNC(CCO)CS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol?
The InChIKey is KMGQEHNXJOXGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-2-17-15(9-10-18)12-21(19,20)16-8-7-13-5-3-4-6-14(13)11-16/h3-8,11,15,17-18H,2,9-10,12H2,1H3.
What are the key properties of 3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol?
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol has a molecular weight of 307.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol is sourced from PubChem (CID 64899704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).