N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide

C14H22N2OS — CID 156606607

IUPACN-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CN(Cc2ccsc2)CC1C(C)C
InChIInChI=1S/C14H22N2OS/c1-10(2)13-7-16(6-12-4-5-18-9-12)8-14(13)15-11(3)17/h4-5,9-10,13-14H,6-8H2,1-3H3,(H,15,17)
InChIKeyPWOTUULYXZJQAG-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.34
Rot. Bonds4

About N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide

N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 156606607) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID156606607
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CN(Cc2ccsc2)CC1C(C)C
InChIInChI=1S/C14H22N2OS/c1-10(2)13-7-16(6-12-4-5-18-9-12)8-14(13)15-11(3)17/h4-5,9-10,13-14H,6-8H2,1-3H3,(H,15,17)
InChIKeyPWOTUULYXZJQAG-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70782992
2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid
CID 116684210
N-[(3S,4R)-1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70734246
4-[[(3R,4S)-3-[(2-methylsulfanylacetyl)amino]-4-propan-2-ylpyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 154899238
N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133362
3-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]propanamide;hydrochloride
CID 154898295
N-[(3S,4R)-1-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 133134391
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
(2R)-N-(4-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30721681
(2R)-N-(4-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30739497
(3S,5R)-5-methyl-1-(thiophen-3-ylmethyl)piperidin-3-ol
CID 131084735

Frequently Asked Questions

What is the IUPAC name of N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide (CID 156606607) is N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CN(Cc2ccsc2)CC1C(C)C.
What is the InChIKey of N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is PWOTUULYXZJQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)13-7-16(6-12-4-5-18-9-12)8-14(13)15-11(3)17/h4-5,9-10,13-14H,6-8H2,1-3H3,(H,15,17).
What are the key properties of N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide?
N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-propan-2-yl-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 156606607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).