N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide

C11H22N2OS — CID 115739941

IUPACN-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCCSCC(C)NC(=O)CC1CCCN1
InChIInChI=1S/C11H22N2OS/c1-3-15-8-9(2)13-11(14)7-10-5-4-6-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyNVQICBKJYAJQNU-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.39
Rot. Bonds6

About N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide

N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 115739941) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID115739941
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCCSCC(C)NC(=O)CC1CCCN1
InChIInChI=1S/C11H22N2OS/c1-3-15-8-9(2)13-11(14)7-10-5-4-6-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyNVQICBKJYAJQNU-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119786793
N-(5-methylhexan-2-yl)-2-piperidin-2-ylacetamide
CID 63926106
(2R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 103811787
(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide
CID 104869071
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300
N-(3-methylpentan-2-yl)-2-piperidin-2-ylacetamide
CID 61463782
N-(dicyclopropylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366652
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid
CID 103869971
methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride
CID 119748439
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide (CID 115739941) is N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide is CCSCC(C)NC(=O)CC1CCCN1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is NVQICBKJYAJQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-15-8-9(2)13-11(14)7-10-5-4-6-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 230.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 115739941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).