(5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione

C14H24N4O4S — CID 59794374

IUPAC(5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(N3CCCC3)CC2)NC(=O)NC1=O
InChIInChI=1S/C14H24N4O4S/c1-14(12(19)15-13(20)16-14)10-23(21,22)18-8-4-11(5-9-18)17-6-2-3-7-17/h11H,2-10H2,1H3,(H2,15,16,19,20)/t14-/m1/s1
InChIKeyBPWXXQCNNNLBSJ-CQSZACIVSA-N
MW344.44 g/mol
LogP-0.53
Rot. Bonds4

About (5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 59794374) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is (5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID59794374
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name(5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(N3CCCC3)CC2)NC(=O)NC1=O
InChIInChI=1S/C14H24N4O4S/c1-14(12(19)15-13(20)16-14)10-23(21,22)18-8-4-11(5-9-18)17-6-2-3-7-17/h11H,2-10H2,1H3,(H2,15,16,19,20)/t14-/m1/s1
InChIKeyBPWXXQCNNNLBSJ-CQSZACIVSA-N
XLogP-0.53
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione (CID 59794374) is (5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CCC(N3CCCC3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is BPWXXQCNNNLBSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-14(12(19)15-13(20)16-14)10-23(21,22)18-8-4-11(5-9-18)17-6-2-3-7-17/h11H,2-10H2,1H3,(H2,15,16,19,20)/t14-/m1/s1.
What are the key properties of (5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 344.44 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59794374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).