(2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone

C12H18N2OS — CID 43367331

IUPAC(2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2)c(N)s1
InChIInChI=1S/C12H18N2OS/c1-8(2)10-7-9(11(13)16-10)12(15)14-5-3-4-6-14/h7-8H,3-6,13H2,1-2H3
InChIKeyUAAAPWPBSOZYMG-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.69
Rot. Bonds2

About (2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone

(2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 43367331) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID43367331
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2)c(N)s1
InChIInChI=1S/C12H18N2OS/c1-8(2)10-7-9(11(13)16-10)12(15)14-5-3-4-6-14/h7-8H,3-6,13H2,1-2H3
InChIKeyUAAAPWPBSOZYMG-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,5-di(propan-2-yl)thiophene-3-carboxamide
CID 43174802
(2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
CID 43367357
(2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone
CID 43367352
2-(piperidine-1-carbonyl)-5-propan-2-ylbenzamide
CID 68832507
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 162420392
[4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone
CID 155457468
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
(3-amino-5-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 107871959
(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 58290282
[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100638822
2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 154359257

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone (CID 43367331) is (2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone is CC(C)c1cc(C(=O)N2CCCC2)c(N)s1.
What is the InChIKey of (2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is UAAAPWPBSOZYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(2)10-7-9(11(13)16-10)12(15)14-5-3-4-6-14/h7-8H,3-6,13H2,1-2H3.
What are the key properties of (2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone?
(2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 238.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 43367331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).