1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine

C14H18N2S2 — CID 102912029

IUPAC1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine
SMILESc1cc2cc(CNCC3CSCCS3)ccc2[nH]1
InChIInChI=1S/C14H18N2S2/c1-2-14-12(3-4-16-14)7-11(1)8-15-9-13-10-17-5-6-18-13/h1-4,7,13,15-16H,5-6,8-10H2
InChIKeyWIEXWSVKDNIJBT-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.11
Rot. Bonds4

About 1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine

1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine (PubChem CID 102912029) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine
PubChem CID102912029
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine
SMILESc1cc2cc(CNCC3CSCCS3)ccc2[nH]1
InChIInChI=1S/C14H18N2S2/c1-2-14-12(3-4-16-14)7-11(1)8-15-9-13-10-17-5-6-18-13/h1-4,7,13,15-16H,5-6,8-10H2
InChIKeyWIEXWSVKDNIJBT-UHFFFAOYSA-N
XLogP3.11
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 102911394
1-(1,4-dithian-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 115685290
1-(1,4-dithian-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 115696225
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106123504
1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine
CID 115696098
4-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-diethylaniline
CID 115696118
3-[(1,4-dithian-2-ylmethylamino)methyl]benzamide
CID 115696182
1-(1,4-dithian-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103744771
N-(1H-indol-5-ylmethyl)prop-2-en-1-amine
CID 53274484
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
CID 178072305
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 102910344

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine (CID 102912029) is 1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine is c1cc2cc(CNCC3CSCCS3)ccc2[nH]1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine?
The InChIKey is WIEXWSVKDNIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-2-14-12(3-4-16-14)7-11(1)8-15-9-13-10-17-5-6-18-13/h1-4,7,13,15-16H,5-6,8-10H2.
What are the key properties of 1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine?
1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine has a molecular weight of 278.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine is sourced from PubChem (CID 102912029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).