N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide

C15H24N4O3S — CID 72882396

IUPACN-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
SMILESCC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)CCc1cnccn1
InChIInChI=1S/C15H24N4O3S/c1-11(2)13-9-19(23(3,21)22)10-14(13)18-15(20)5-4-12-8-16-6-7-17-12/h6-8,11,13-14H,4-5,9-10H2,1-3H3,(H,18,20)/t13-,14+/m1/s1
InChIKeyWPRCAPNPINGZGO-KGLIPLIRSA-N
MW340.45 g/mol
LogP0.44
Rot. Bonds6

About N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide

N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide (PubChem CID 72882396) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
PubChem CID72882396
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
SMILESCC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)CCc1cnccn1
InChIInChI=1S/C15H24N4O3S/c1-11(2)13-9-19(23(3,21)22)10-14(13)18-15(20)5-4-12-8-16-6-7-17-12/h6-8,11,13-14H,4-5,9-10H2,1-3H3,(H,18,20)/t13-,14+/m1/s1
InChIKeyWPRCAPNPINGZGO-KGLIPLIRSA-N
XLogP0.44
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide (CID 72882396) is N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide is CC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)CCc1cnccn1.
What is the InChIKey of N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
The InChIKey is WPRCAPNPINGZGO-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-11(2)13-9-19(23(3,21)22)10-14(13)18-15(20)5-4-12-8-16-6-7-17-12/h6-8,11,13-14H,4-5,9-10H2,1-3H3,(H,18,20)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide has a molecular weight of 340.45 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 72882396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).