1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one

C7H14N2OS — CID 146921004

IUPAC1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one
SMILESCC(S)NC1CC(=O)N(C)C1
InChIInChI=1S/C7H14N2OS/c1-5(11)8-6-3-7(10)9(2)4-6/h5-6,8,11H,3-4H2,1-2H3
InChIKeyADEKYIHSGVHWMC-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.08
Rot. Bonds2

About 1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one

1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one (PubChem CID 146921004) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one
PubChem CID146921004
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one
SMILESCC(S)NC1CC(=O)N(C)C1
InChIInChI=1S/C7H14N2OS/c1-5(11)8-6-3-7(10)9(2)4-6/h5-6,8,11H,3-4H2,1-2H3
InChIKeyADEKYIHSGVHWMC-UHFFFAOYSA-N
XLogP0.08
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(ethylamino)-1-methylpyrrolidin-2-one
CID 171515243
1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 95969340
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-propan-2-ylurea
CID 71789164
3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 60616692
(4S)-1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 129101287
(4S,7S)-4-amino-7-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]amino]-5,6-dioxodecanedioic acid
CID 90168515
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide
CID 126983919
1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
CID 64655130
2-amino-3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pentanamide
CID 119758230
N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 110745995

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one (CID 146921004) is 1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one is CC(S)NC1CC(=O)N(C)C1.
What is the InChIKey of 1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one?
The InChIKey is ADEKYIHSGVHWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-5(11)8-6-3-7(10)9(2)4-6/h5-6,8,11H,3-4H2,1-2H3.
What are the key properties of 1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one?
1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one has a molecular weight of 174.27 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-sulfanylethylamino)pyrrolidin-2-one is sourced from PubChem (CID 146921004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).