N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride

C17H29ClN2O3S — CID 19377083

IUPACN-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride
SMILESCCC(CCNS(C)(=O)=O)NC1CCc2cccc(OC)c2C1.Cl
InChIInChI=1S/C17H28N2O3S.ClH/c1-4-14(10-11-18-23(3,20)21)19-15-9-8-13-6-5-7-17(22-2)16(13)12-15;/h5-7,14-15,18-19H,4,8-12H2,1-3H3;1H
InChIKeyMDYQVUZNUKJERS-UHFFFAOYSA-N
MW376.95 g/mol
LogP2.28
Rot. Bonds8

About N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride

N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride (PubChem CID 19377083) has the molecular formula C17H29ClN2O3S and a molecular weight of 376.95 g/mol. Its IUPAC name is N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride
PubChem CID19377083
Molecular FormulaC17H29ClN2O3S
Molecular Weight376.95 g/mol
Exact Mass376.16
IUPAC NameN-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride
SMILESCCC(CCNS(C)(=O)=O)NC1CCc2cccc(OC)c2C1.Cl
InChIInChI=1S/C17H28N2O3S.ClH/c1-4-14(10-11-18-23(3,20)21)19-15-9-8-13-6-5-7-17(22-2)16(13)12-15;/h5-7,14-15,18-19H,4,8-12H2,1-3H3;1H
InChIKeyMDYQVUZNUKJERS-UHFFFAOYSA-N
XLogP2.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide
CID 19377065
N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide
CID 67870487
3-chloro-N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]propane-1-sulfonamide;dihydrochloride
CID 19377066
8-methoxy-N-(1-methoxypentan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19377028
3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl propaneperoxoate
CID 19377067
N,N-diethyl-3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanamide
CID 19377092
N-(cyclopropylmethyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331788
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)formamide
CID 18976441
N-[4-[(8-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexyl]adamantane-1-carboxamide
CID 54427872
(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 22866782
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
(2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid
CID 122044708

Frequently Asked Questions

What is the IUPAC name of N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride (CID 19377083) is N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride is CCC(CCNS(C)(=O)=O)NC1CCc2cccc(OC)c2C1.Cl.
What is the InChIKey of N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride?
The InChIKey is MDYQVUZNUKJERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S.ClH/c1-4-14(10-11-18-23(3,20)21)19-15-9-8-13-6-5-7-17(22-2)16(13)12-15;/h5-7,14-15,18-19H,4,8-12H2,1-3H3;1H.
What are the key properties of N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride?
N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 19377083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).