1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine

C11H13NS — CID 143183648

IUPAC1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine
SMILESCNCC12CC1c1ccccc1S2
InChIInChI=1S/C11H13NS/c1-12-7-11-6-9(11)8-4-2-3-5-10(8)13-11/h2-5,9,12H,6-7H2,1H3
InChIKeyGMELVXHEPRQKDW-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.24
Rot. Bonds2

About 1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine

1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine (PubChem CID 143183648) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine
PubChem CID143183648
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine
SMILESCNCC12CC1c1ccccc1S2
InChIInChI=1S/C11H13NS/c1-12-7-11-6-9(11)8-4-2-3-5-10(8)13-11/h2-5,9,12H,6-7H2,1H3
InChIKeyGMELVXHEPRQKDW-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine
CID 112715904
1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 79214574
spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
CID 83907444
1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine
CID 105447374
1-[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]-N-methylmethanamine
CID 55107032
(2S,3R)-2-methyl-3H-1-benzothiophene-2,3-diol
CID 56950484
2-spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylpropan-1-amine
CID 83910389
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine
CID 79229912
1-[1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)azetidin-3-yl]-N-methylmethanamine
CID 70621906
(2R,3aR,9bR)-2,4,4-trimethyl-2,3,3a,9b-tetrahydrothiochromeno[4,3-b]furan
CID 101222026
9-(methylaminomethyl)fluoren-9-ol
CID 132915706
N-methyl-1-(1-pyrimidin-2-ylcyclopropyl)methanamine
CID 116998358

Frequently Asked Questions

What is the IUPAC name of 1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine (CID 143183648) is 1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine is CNCC12CC1c1ccccc1S2.
What is the InChIKey of 1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine?
The InChIKey is GMELVXHEPRQKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-12-7-11-6-9(11)8-4-2-3-5-10(8)13-11/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine?
1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine has a molecular weight of 191.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6b-dihydrocyclopropa[b][1]benzothiol-1a-yl)-N-methylmethanamine is sourced from PubChem (CID 143183648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).