N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine

C15H19NS2 — CID 113235576

IUPACN-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
SMILESc1ccc2c(CNCC3CCSCC3)csc2c1
InChIInChI=1S/C15H19NS2/c1-2-4-15-14(3-1)13(11-18-15)10-16-9-12-5-7-17-8-6-12/h1-4,11-12,16H,5-10H2
InChIKeyLHXHMNGGFYEHAA-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.13
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine

N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine (PubChem CID 113235576) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
PubChem CID113235576
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
SMILESc1ccc2c(CNCC3CCSCC3)csc2c1
InChIInChI=1S/C15H19NS2/c1-2-4-15-14(3-1)13(11-18-15)10-16-9-12-5-7-17-8-6-12/h1-4,11-12,16H,5-10H2
InChIKeyLHXHMNGGFYEHAA-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
CID 55198456
3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214140
4-[(1-benzothiophen-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79529921
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55023246
N-(1-benzothiophen-3-ylmethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
CID 62698294
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
N-(1-benzothiophen-3-ylmethyl)-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95607549
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine (CID 113235576) is N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine is c1ccc2c(CNCC3CCSCC3)csc2c1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine?
The InChIKey is LHXHMNGGFYEHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-2-4-15-14(3-1)13(11-18-15)10-16-9-12-5-7-17-8-6-12/h1-4,11-12,16H,5-10H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine?
N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine has a molecular weight of 277.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine is sourced from PubChem (CID 113235576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).