[1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine

C12H16N2S — CID 116998995

IUPAC[1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine
SMILESNCC1(c2ccc3c(c2)SCCN3)CC1
InChIInChI=1S/C12H16N2S/c13-8-12(3-4-12)9-1-2-10-11(7-9)15-6-5-14-10/h1-2,7,14H,3-6,8,13H2
InChIKeyMPUJCCYDSZZLAP-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.19
Rot. Bonds2

About [1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine

[1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine (PubChem CID 116998995) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine
PubChem CID116998995
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name[1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine
SMILESNCC1(c2ccc3c(c2)SCCN3)CC1
InChIInChI=1S/C12H16N2S/c13-8-12(3-4-12)9-1-2-10-11(7-9)15-6-5-14-10/h1-2,7,14H,3-6,8,13H2
InChIKeyMPUJCCYDSZZLAP-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropan-1-amine
CID 116999100
7-[1-(aminomethyl)cyclopropyl]-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 116994640
3-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)oxetane-3-carbonitrile
CID 116999004
[1-(1,3-benzoxathiol-5-yl)cyclobutyl]methanamine
CID 117316953
1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclobutane-1-carbonitrile
CID 116999078
1-[1-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)cyclopropyl]-N-methylmethanamine
CID 116999077
4-[1-(aminomethyl)cyclopropyl]-2-(trifluoromethyl)phenol
CID 117333712
7-(2-pyrrolidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116999039
[3-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)oxetan-3-yl]methanol
CID 116999086
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine (CID 116998995) is [1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine is NCC1(c2ccc3c(c2)SCCN3)CC1.
What is the InChIKey of [1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine?
The InChIKey is MPUJCCYDSZZLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c13-8-12(3-4-12)9-1-2-10-11(7-9)15-6-5-14-10/h1-2,7,14H,3-6,8,13H2.
What are the key properties of [1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine?
[1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine has a molecular weight of 220.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-1,4-benzothiazin-7-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116998995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).