1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine

C14H20N2S — CID 116999077

IUPAC1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc3c(c2)SCCN3)CC1
InChIInChI=1S/C14H20N2S/c1-15-10-14(4-5-14)9-11-2-3-12-13(8-11)17-7-6-16-12/h2-3,8,15-16H,4-7,9-10H2,1H3
InChIKeyQINVKPYWNKHXPV-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.75
Rot. Bonds4

About 1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine

1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine (PubChem CID 116999077) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine
PubChem CID116999077
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc3c(c2)SCCN3)CC1
InChIInChI=1S/C14H20N2S/c1-15-10-14(4-5-14)9-11-2-3-12-13(8-11)17-7-6-16-12/h2-3,8,15-16H,4-7,9-10H2,1H3
InChIKeyQINVKPYWNKHXPV-UHFFFAOYSA-N
XLogP2.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116999282
1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine
CID 116999100
[3-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)oxetan-3-yl]methanol
CID 116999086
1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclobutane-1-carbonitrile
CID 116999078
2-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)butan-1-ol
CID 116999090
1-[1-[(3-chloro-4-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 116929052
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
3-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)-2-methylpropanoic acid
CID 116998953
7-(2-pyrrolidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116999039
[1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine
CID 116998995
7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116998930
1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 63507472

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine (CID 116999077) is 1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine is CNCC1(Cc2ccc3c(c2)SCCN3)CC1.
What is the InChIKey of 1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is QINVKPYWNKHXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-15-10-14(4-5-14)9-11-2-3-12-13(8-11)17-7-6-16-12/h2-3,8,15-16H,4-7,9-10H2,1H3.
What are the key properties of 1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine?
1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 248.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116999077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).