2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium

C9H16NNoOS- — CID 20659752

IUPAC2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium
SMILESCSCC(C)C(=O)N1[CH-]CCC1.[No]
InChIInChI=1S/C9H16NOS.No/c1-8(7-12-2)9(11)10-5-3-4-6-10;/h5,8H,3-4,6-7H2,1-2H3;/q-1;
InChIKeyOVVJDRKWECSXOW-UHFFFAOYSA-N
MW445.30 g/mol
LogP1.77
Rot. Bonds3

About 2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium

2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium (PubChem CID 20659752) has the molecular formula C9H16NNoOS- and a molecular weight of 445.30 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium
PubChem CID20659752
Molecular FormulaC9H16NNoOS-
Molecular Weight445.30 g/mol
Exact Mass445.20
IUPAC Name2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium
SMILESCSCC(C)C(=O)N1[CH-]CCC1.[No]
InChIInChI=1S/C9H16NOS.No/c1-8(7-12-2)9(11)10-5-3-4-6-10;/h5,8H,3-4,6-7H2,1-2H3;/q-1;
InChIKeyOVVJDRKWECSXOW-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-(Methylsulfanyl)-1-(pyrrolidin-1-yl)propan-1-one
CID 60635073
4-(Methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
CID 84324723
3-(Methylsulfanyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 131204503
1-(2,5-Dimethylpyrrolidin-1-yl)-3-(methylsulfanyl)propan-1-one
CID 145867154
1-[2-(Ethylthio)ethyl]-2-pyrrolidinone
CID 20458704
2,2-Dimethyl-1-(thiazolidin-3-yl)propan-1-one
CID 70566640
2-Methyl-1-pyrrolidin-1-yl-3-sulfanylpropan-1-one
CID 90192409
1-[2-[[2-(Ethylthio)ethyl]thio]ethyl]-2-pyrrolidinone
CID 129809762
1-[(2R)-4,4-difluoro-2-methylsulfanylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 130442917
2-Cyclopentylsulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 42895302
2-Methylsulfanyl-1-pyrrolidin-1-ylethanone
CID 52140702
1,4-Dimethyl-3-methylsulfanylpyrrolidin-2-one
CID 14417021

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium?
The IUPAC name of 2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium (CID 20659752) is 2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium?
The canonical SMILES for 2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium is CSCC(C)C(=O)N1[CH-]CCC1.[No].
What is the InChIKey of 2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium?
The InChIKey is OVVJDRKWECSXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NOS.No/c1-8(7-12-2)9(11)10-5-3-4-6-10;/h5,8H,3-4,6-7H2,1-2H3;/q-1;.
What are the key properties of 2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium?
2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium has a molecular weight of 445.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-1-pyrrolidin-5-id-1-ylpropan-1-one;nobelium is sourced from PubChem (CID 20659752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).