N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine

C14H21N3OS — CID 131951888

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1ccc2nsnc2c1
InChIInChI=1S/C14H21N3OS/c1-10(8-14(2,3)18-4)15-9-11-5-6-12-13(7-11)17-19-16-12/h5-7,10,15H,8-9H2,1-4H3
InChIKeyFGKSTGOSZIHJFV-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.98
Rot. Bonds6

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine

N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 131951888) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID131951888
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1ccc2nsnc2c1
InChIInChI=1S/C14H21N3OS/c1-10(8-14(2,3)18-4)15-9-11-5-6-12-13(7-11)17-19-16-12/h5-7,10,15H,8-9H2,1-4H3
InChIKeyFGKSTGOSZIHJFV-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 95189212
N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 60749843
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
4-methoxy-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 61285626
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
(2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 95203794
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(6-bromo-3-pyridinyl)propan-2-amine
CID 166341916
formic acid;4-methoxy-4-methyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pentan-2-amine
CID 154907219
4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine
CID 43147178
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72931926
(4S)-4-(1-benzothiophen-5-ylmethylamino)-2-methylpentan-2-ol
CID 95124233

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine (CID 131951888) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NCc1ccc2nsnc2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is FGKSTGOSZIHJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(8-14(2,3)18-4)15-9-11-5-6-12-13(7-11)17-19-16-12/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 279.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 131951888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).