3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol

C14H19NOS2 — CID 115359283

IUPAC3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC(c1cccs1)c1cccs1
InChIInChI=1S/C14H19NOS2/c1-14(2,10-16)9-15-13(11-5-3-7-17-11)12-6-4-8-18-12/h3-8,13,15-16H,9-10H2,1-2H3
InChIKeyBJWSKLXIFZJBFD-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.51
Rot. Bonds6

About 3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol

3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol (PubChem CID 115359283) has the molecular formula C14H19NOS2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol
PubChem CID115359283
Molecular FormulaC14H19NOS2
Molecular Weight281.45 g/mol
Exact Mass281.09
IUPAC Name3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC(c1cccs1)c1cccs1
InChIInChI=1S/C14H19NOS2/c1-14(2,10-16)9-15-13(11-5-3-7-17-11)12-6-4-8-18-12/h3-8,13,15-16H,9-10H2,1-2H3
InChIKeyBJWSKLXIFZJBFD-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol
CID 81411730
N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758923
1-(dithiophen-2-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106249456
N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
CID 115356281
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 43788223
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418517
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
CID 66169808
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292

Frequently Asked Questions

What is the IUPAC name of 3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol (CID 115359283) is 3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol is CC(C)(CO)CNC(c1cccs1)c1cccs1.
What is the InChIKey of 3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol?
The InChIKey is BJWSKLXIFZJBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS2/c1-14(2,10-16)9-15-13(11-5-3-7-17-11)12-6-4-8-18-12/h3-8,13,15-16H,9-10H2,1-2H3.
What are the key properties of 3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol?
3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 281.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).