[2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

C13H23N2OS+ — CID 7437171

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCC(C)N(C(=O)C[NH2+]Cc1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-10(2)15(11(3)4)13(16)9-14-8-12-6-5-7-17-12/h5-7,10-11,14H,8-9H2,1-4H3/p+1
InChIKeyCCFDIJCTEVLUIR-UHFFFAOYSA-O
MW255.41 g/mol
LogP1.46
Rot. Bonds6

About [2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

[2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 7437171) has the molecular formula C13H23N2OS+ and a molecular weight of 255.41 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID7437171
Molecular FormulaC13H23N2OS+
Molecular Weight255.41 g/mol
Exact Mass255.15
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCC(C)N(C(=O)C[NH2+]Cc1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-10(2)15(11(3)4)13(16)9-14-8-12-6-5-7-17-12/h5-7,10-11,14H,8-9H2,1-4H3/p+1
InChIKeyCCFDIJCTEVLUIR-UHFFFAOYSA-O
XLogP1.46
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid
CID 60830325
(4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium
CID 7458318
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
3-(thiophen-2-ylmethylsulfinyl)butanoic acid
CID 66113265
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide
CID 43573458
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 7450766

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (CID 7437171) is [2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is CC(C)N(C(=O)C[NH2+]Cc1cccs1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is CCFDIJCTEVLUIR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)15(11(3)4)13(16)9-14-8-12-6-5-7-17-12/h5-7,10-11,14H,8-9H2,1-4H3/p+1.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
[2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 255.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 7437171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).